Pyrimidines And Derivatives

Aromatic organic compounds that consist of an aromatic six-membered ring containing two non-adjacent nitrogen atoms and four carbon atoms; includes compounds derived from pyrimidines.

1 – 15 of 473 results

Thermo Scientific Chemicals Uracil, 99+%

CAS: 66-22-8 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.09 MDL Number: MFCD00006016 InChI Key: ISAKRJDGNUQOIC-UHFFFAOYSA-N Synonym: uracil,2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione,2,4-pyrimidinediol,2,4-dioxopyrimidine,pyrimidine-2,4 1h,3h-dione,pirod,2,4-pyrimidinedione,pyrod,hybar x PubChem CID: 1174 ChEBI: CHEBI:17568 IUPAC Name: 1H-pyrimidine-2,4-dione SMILES: O=C1NC=CC(=O)N1

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Specifications

PubChem CID	1174
CAS	66-22-8
Molecular Weight (g/mol)	112.09
ChEBI	CHEBI:17568
MDL Number	MFCD00006016
SMILES	O=C1NC=CC(=O)N1
Synonym	uracil,2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione,2,4-pyrimidinediol,2,4-dioxopyrimidine,pyrimidine-2,4 1h,3h-dione,pirod,2,4-pyrimidinedione,pyrod,hybar x
IUPAC Name	1H-pyrimidine-2,4-dione
InChI Key	ISAKRJDGNUQOIC-UHFFFAOYSA-N
Molecular Formula	C4H4N2O2

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Thermo Scientific Chemicals Thiamine hydrochloride, 98.5-101.5%

CAS: 67-03-8 Molecular Formula: C₁₂H₁₇ClN₄OS·HCl Molecular Weight (g/mol): 337.26 MDL Number: MFCD00012780 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]

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Specifications

PubChem CID	6202
CAS	67-03-8
Molecular Weight (g/mol)	337.26
ChEBI	CHEBI:49105
MDL Number	MFCD00012780
SMILES	CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
Synonym	thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride
IUPAC Name	2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride
InChI Key	DPJRMOMPQZCRJU-UHFFFAOYSA-M
Molecular Formula	C₁₂H₁₇ClN₄OS·HCl

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5-Fluorocytosine, 99+%

CAS: 2022-85-7 Molecular Formula: C4H4FN3O Molecular Weight (g/mol): 129.09 MDL Number: MFCD00006035,MFCD00179326,MFCD03547958 InChI Key: XRECTZIEBJDKEO-UHFFFAOYSA-N Synonym: 5-fluorocytosine,flucytosine,ancotil,ancobon,flucytosin,5-fluorocystosine,fluocytosine,5-fc,5-fluorocytosin,fluorcytosine PubChem CID: 3366 ChEBI: CHEBI:5100 IUPAC Name: 6-amino-5-fluoro-1H-pyrimidin-2-one SMILES: NC1=C(F)C=NC(=O)N1

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Specifications

PubChem CID	3366
CAS	2022-85-7
Molecular Weight (g/mol)	129.09
ChEBI	CHEBI:5100
MDL Number	MFCD00006035,MFCD00179326,MFCD03547958
SMILES	NC1=C(F)C=NC(=O)N1
Synonym	5-fluorocytosine,flucytosine,ancotil,ancobon,flucytosin,5-fluorocystosine,fluocytosine,5-fc,5-fluorocytosin,fluorcytosine
IUPAC Name	6-amino-5-fluoro-1H-pyrimidin-2-one
InChI Key	XRECTZIEBJDKEO-UHFFFAOYSA-N
Molecular Formula	C4H4FN3O

Thiamine hydrochloride, 99% (dry wt.), may cont. up to 5% water

CAS: 67-03-8 Molecular Formula: C12H18Cl2N4OS Molecular Weight (g/mol): 337.263 MDL Number: MFCD00012780 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]

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Specifications

PubChem CID	6202
CAS	67-03-8
Molecular Weight (g/mol)	337.263
ChEBI	CHEBI:49105
MDL Number	MFCD00012780
SMILES	CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
Synonym	thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride
IUPAC Name	2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride
InChI Key	DPJRMOMPQZCRJU-UHFFFAOYSA-M
Molecular Formula	C12H18Cl2N4OS

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Guanine, 99+%

CAS: 73-40-5 Molecular Formula: C5H5N5O Molecular Weight (g/mol): 151.13 MDL Number: MFCD00071533 InChI Key: UYTPUPDQBNUYGX-UHFFFAOYSA-N Synonym: guanine,2-amino-6-hydroxypurine,guanin,2-aminohypoxanthine,mearlmaid,pearl essence,guanine enol,stella polaris,dew pearl,natural pearl essence PubChem CID: 764 ChEBI: CHEBI:16235 IUPAC Name: 2-amino-3,7-dihydropurin-6-one SMILES: NC1=NC(=O)C2=C(N1)N=CN2

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Specifications

PubChem CID	764
CAS	73-40-5
Molecular Weight (g/mol)	151.13
ChEBI	CHEBI:16235
MDL Number	MFCD00071533
SMILES	NC1=NC(=O)C2=C(N1)N=CN2
Synonym	guanine,2-amino-6-hydroxypurine,guanin,2-aminohypoxanthine,mearlmaid,pearl essence,guanine enol,stella polaris,dew pearl,natural pearl essence
IUPAC Name	2-amino-3,7-dihydropurin-6-one
InChI Key	UYTPUPDQBNUYGX-UHFFFAOYSA-N
Molecular Formula	C5H5N5O

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Thermo Scientific Chemicals 5-Fluorouracil, 99%

CAS: 51-21-8 Molecular Formula: C4H3FN2O2 Molecular Weight (g/mol): 130.08 MDL Number: MFCD00006018 InChI Key: GHASVSINZRGABV-UHFFFAOYSA-N Synonym: 5-fluorouracil,fluorouracil,5-fu,fluoroplex,adrucil,efudex,carac,fluracil,fluoroblastin,kecimeton PubChem CID: 3385 ChEBI: CHEBI:46345 IUPAC Name: 5-fluoro-1H-pyrimidine-2,4-dione SMILES: FC1=CNC(=O)NC1=O

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Specifications

PubChem CID	3385
CAS	51-21-8
Molecular Weight (g/mol)	130.08
ChEBI	CHEBI:46345
MDL Number	MFCD00006018
SMILES	FC1=CNC(=O)NC1=O
Synonym	5-fluorouracil,fluorouracil,5-fu,fluoroplex,adrucil,efudex,carac,fluracil,fluoroblastin,kecimeton
IUPAC Name	5-fluoro-1H-pyrimidine-2,4-dione
InChI Key	GHASVSINZRGABV-UHFFFAOYSA-N
Molecular Formula	C4H3FN2O2

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PubChem CID	1174
CAS	66-22-8
Molecular Weight (g/mol)	112.09
ChEBI	CHEBI:17568
MDL Number	MFCD00006016
SMILES	O=C1NC=CC(=O)N1
Synonym	uracil,2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione,2,4-pyrimidinediol,2,4-dioxopyrimidine,pyrimidine-2,4 1h,3h-dione,pirod,2,4-pyrimidinedione,pyrod,hybar x
IUPAC Name	1H-pyrimidine-2,4-dione
InChI Key	ISAKRJDGNUQOIC-UHFFFAOYSA-N
Molecular Formula	C4H4N2O2

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4,6-Dihydroxy-2-mercaptopyrimidine, 98%

CAS: 504-17-6 Molecular Formula: C4H4N2O2S Molecular Weight (g/mol): 144.15 MDL Number: MFCD00006674 InChI Key: RVBUGGBMJDPOST-UHFFFAOYSA-N Synonym: 2-thiobarbituric acid,thiobarbituric acid,bathyran,austranal,4,6-dihydroxy-2-thiopyrimidine,2-thioxodihydropyrimidine-4,6 1h,5h-dione,2-thio-4,6-dioxypyrimidine,usaf ek-660,4,6 1h,5h-pyrimidinedione, dihydro-2-thioxo,2-mercaptobarbituric acid PubChem CID: 2723628 ChEBI: CHEBI:33202 IUPAC Name: 2-sulfanylidene-1,3-diazinane-4,6-dione SMILES: O=C1CC(=O)NC(=S)N1

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Specifications

PubChem CID	2723628
CAS	504-17-6
Molecular Weight (g/mol)	144.15
ChEBI	CHEBI:33202
MDL Number	MFCD00006674
SMILES	O=C1CC(=O)NC(=S)N1
Synonym	2-thiobarbituric acid,thiobarbituric acid,bathyran,austranal,4,6-dihydroxy-2-thiopyrimidine,2-thioxodihydropyrimidine-4,6 1h,5h-dione,2-thio-4,6-dioxypyrimidine,usaf ek-660,4,6 1h,5h-pyrimidinedione, dihydro-2-thioxo,2-mercaptobarbituric acid
IUPAC Name	2-sulfanylidene-1,3-diazinane-4,6-dione
InChI Key	RVBUGGBMJDPOST-UHFFFAOYSA-N
Molecular Formula	C4H4N2O2S

2,4-Dihydroxypyrimidine-5-carboxylic acid, 98%

CAS: 23945-44-0 Molecular Formula: C₅H₄N₂O₄ Molecular Weight (g/mol): 156.1 MDL Number: MFCD00149397 InChI Key: ZXYAAVBXHKCJJB-UHFFFAOYSA-N Synonym: 2,4-dihydroxypyrimidine-5-carboxylic acid,uracil 5-carboxylic acid,isoorotic acid,uracil-5-carboxylic acid,5-carboxyuracil,2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid,2,4-dihydroxy-5-pyrimidinecarboxylic acid,5-uracilcarboxylic acid,5-pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo,uracil 5-carboxylate PubChem CID: 90301 ChEBI: CHEBI:17477 IUPAC Name: 2,4-dioxo-1H-pyrimidine-5-carboxylic acid SMILES: C1=C(C(=O)NC(=O)N1)C(=O)O

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Specifications

PubChem CID	90301
CAS	23945-44-0
Molecular Weight (g/mol)	156.1
ChEBI	CHEBI:17477
MDL Number	MFCD00149397
SMILES	C1=C(C(=O)NC(=O)N1)C(=O)O
Synonym	2,4-dihydroxypyrimidine-5-carboxylic acid,uracil 5-carboxylic acid,isoorotic acid,uracil-5-carboxylic acid,5-carboxyuracil,2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid,2,4-dihydroxy-5-pyrimidinecarboxylic acid,5-uracilcarboxylic acid,5-pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo,uracil 5-carboxylate
IUPAC Name	2,4-dioxo-1H-pyrimidine-5-carboxylic acid
InChI Key	ZXYAAVBXHKCJJB-UHFFFAOYSA-N
Molecular Formula	C₅H₄N₂O₄

2-Amino-4,6-dichloropyrimidine, 95%, tech.

CAS: 56-05-3 Molecular Formula: C₄H₃Cl₂N₃ Molecular Weight (g/mol): 163.99 MDL Number: MFCD00006090 InChI Key: JPZOAVGMSDSWSW-UHFFFAOYSA-N Synonym: 2-amino-4,6-dichloropyrimidine,4,6-dichloro-2-pyrimidinamine,2-pyrimidinamine, 4,6-dichloro,4,6-dichloropyrimidin-2-ylamine,ccris 7460,4,6-dichloro-pyrimidin-2-ylamine,pyrimidine, 2-amino-4,6-dichloro,2-amino-4,6-dichloro pyrimidine,4,6-dichloropyrimidine-2-ylamine,zlchem 351 PubChem CID: 65522 IUPAC Name: 4,6-dichloropyrimidin-2-amine SMILES: C1=C(N=C(N=C1Cl)N)Cl

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Specifications

PubChem CID	65522
CAS	56-05-3
Molecular Weight (g/mol)	163.99
MDL Number	MFCD00006090
SMILES	C1=C(N=C(N=C1Cl)N)Cl
Synonym	2-amino-4,6-dichloropyrimidine,4,6-dichloro-2-pyrimidinamine,2-pyrimidinamine, 4,6-dichloro,4,6-dichloropyrimidin-2-ylamine,ccris 7460,4,6-dichloro-pyrimidin-2-ylamine,pyrimidine, 2-amino-4,6-dichloro,2-amino-4,6-dichloro pyrimidine,4,6-dichloropyrimidine-2-ylamine,zlchem 351
IUPAC Name	4,6-dichloropyrimidin-2-amine
InChI Key	JPZOAVGMSDSWSW-UHFFFAOYSA-N
Molecular Formula	C₄H₃Cl₂N₃

5-Iodouracil, 97%

CAS: 696-07-1 Molecular Formula: C4H3IN2O2 Molecular Weight (g/mol): 237.98 MDL Number: MFCD00006020 InChI Key: KSNXJLQDQOIRIP-UHFFFAOYSA-N Synonym: 5-iodouracil,5-iodopyrimidine-2,4 1h,3h-dione,2,4 1h,3h-pyrimidinedione, 5-iodo,uracil, 5-iodo,5-iodopyrimidine-2,4-diol,2,4-dihydroxy-5-iodopyrimidine,5-iodo uracil,unii-h59brk500m,chembl1173,5-iodo-1,2,3,4-tetrahydropyrimidine-2,4-dione PubChem CID: 69672 ChEBI: CHEBI:43636 IUPAC Name: 5-iodo-1H-pyrimidine-2,4-dione SMILES: IC1=CNC(=O)NC1=O

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Specifications

PubChem CID	69672
CAS	696-07-1
Molecular Weight (g/mol)	237.98
ChEBI	CHEBI:43636
MDL Number	MFCD00006020
SMILES	IC1=CNC(=O)NC1=O
Synonym	5-iodouracil,5-iodopyrimidine-2,4 1h,3h-dione,2,4 1h,3h-pyrimidinedione, 5-iodo,uracil, 5-iodo,5-iodopyrimidine-2,4-diol,2,4-dihydroxy-5-iodopyrimidine,5-iodo uracil,unii-h59brk500m,chembl1173,5-iodo-1,2,3,4-tetrahydropyrimidine-2,4-dione
IUPAC Name	5-iodo-1H-pyrimidine-2,4-dione
InChI Key	KSNXJLQDQOIRIP-UHFFFAOYSA-N
Molecular Formula	C4H3IN2O2

4,6-Dichloro-2-(methylthio)pyrimidine, 98%, Thermo Scientific Chemicals

CAS: 6299-25-8 Molecular Formula: C5H4Cl2N2S Molecular Weight (g/mol): 195.061 MDL Number: MFCD00006086 InChI Key: FCMLONIWOAGZJX-UHFFFAOYSA-N Synonym: 4,6-dichloro-2-methylthio pyrimidine,4,6-dichloro-2-methylmercaptopyrimidine,4,6-dichloro-2-methylsulfanyl-pyrimidine,4,6-dichloro-2-methylthiopyrimidine,pyrimidine, 4,6-dichloro-2-methylthio,4,6-dichloro-2-methylsulfanyl pyrimidine,4,6-dichloropyrimidine methyl sulphide,2-methylthio-4,6-dichloropyrimidine,pubchem21477 PubChem CID: 80531 IUPAC Name: 4,6-dichloro-2-methylsulfanylpyrimidine SMILES: CSC1=NC(=CC(=N1)Cl)Cl

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Specifications

PubChem CID	80531
CAS	6299-25-8
Molecular Weight (g/mol)	195.061
MDL Number	MFCD00006086
SMILES	CSC1=NC(=CC(=N1)Cl)Cl
Synonym	4,6-dichloro-2-methylthio pyrimidine,4,6-dichloro-2-methylmercaptopyrimidine,4,6-dichloro-2-methylsulfanyl-pyrimidine,4,6-dichloro-2-methylthiopyrimidine,pyrimidine, 4,6-dichloro-2-methylthio,4,6-dichloro-2-methylsulfanyl pyrimidine,4,6-dichloropyrimidine methyl sulphide,2-methylthio-4,6-dichloropyrimidine,pubchem21477
IUPAC Name	4,6-dichloro-2-methylsulfanylpyrimidine
InChI Key	FCMLONIWOAGZJX-UHFFFAOYSA-N
Molecular Formula	C5H4Cl2N2S

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Orotic acid, 98%, anhydrous

CAS: 65-86-1 Molecular Formula: C₅H₄N₂O₄ Molecular Weight (g/mol): 156.1 InChI Key: PXQPEWDEAKTCGB-UHFFFAOYSA-N Synonym: orotic acid,6-carboxyuracil,orodin,oropur,orotonin,orotonsan,oroturic,orotyl,vitamin b13,whey factor PubChem CID: 967 ChEBI: CHEBI:16742 IUPAC Name: 2,4-dioxo-1H-pyrimidine-6-carboxylic acid SMILES: C1=C(NC(=O)NC1=O)C(=O)O

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Specifications

PubChem CID	967
CAS	65-86-1
Molecular Weight (g/mol)	156.1
ChEBI	CHEBI:16742
SMILES	C1=C(NC(=O)NC1=O)C(=O)O
Synonym	orotic acid,6-carboxyuracil,orodin,oropur,orotonin,orotonsan,oroturic,orotyl,vitamin b13,whey factor
IUPAC Name	2,4-dioxo-1H-pyrimidine-6-carboxylic acid
InChI Key	PXQPEWDEAKTCGB-UHFFFAOYSA-N
Molecular Formula	C₅H₄N₂O₄

N(4)-Acetylcytosine, 98%

CAS: 14631-20-0 Molecular Formula: C6H7N3O2 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00134466 InChI Key: IJCKBIINTQEGLY-UHFFFAOYSA-N PubChem CID: 99309 IUPAC Name: N-(2-oxo-1H-pyrimidin-6-yl)acetamide SMILES: CC(=O)NC1=CC=NC(=O)N1

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Specifications

PubChem CID	99309
CAS	14631-20-0
Molecular Weight (g/mol)	153.14
MDL Number	MFCD00134466
SMILES	CC(=O)NC1=CC=NC(=O)N1
IUPAC Name	N-(2-oxo-1H-pyrimidin-6-yl)acetamide
InChI Key	IJCKBIINTQEGLY-UHFFFAOYSA-N
Molecular Formula	C6H7N3O2

2-chloropyrimidine-5-carboxylic acid, 97%

CAS: 374068-01-6 Molecular Formula: C5H3ClN2O2 Molecular Weight (g/mol): 158.54 MDL Number: MFCD06739036 InChI Key: DUCXUPKLVVSJKA-UHFFFAOYSA-N Synonym: 2-chloro-pyrimidine-5-carboxylic acid,2-chloro-5-carboxypyrimidine,5-carboxy-2-chloropyrimidine,5-pyrimidinecarboxylicacid, 2-chloro,2-chloro-5-pyrimidinecarboxylic acid,5-pyrimidinecarboxylic acid, 2-chloro,2-chloropyrimidine-5-carboxylicacid,acmc-1aig3,2-chloropyrimidine 5-carboxylic acid,2-chloro-5-pyrimidine carboxylic acid PubChem CID: 11094906 IUPAC Name: 2-chloropyrimidine-5-carboxylic acid SMILES: OC(=O)C1=CN=C(Cl)N=C1

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Specifications

PubChem CID	11094906
CAS	374068-01-6
Molecular Weight (g/mol)	158.54
MDL Number	MFCD06739036
SMILES	OC(=O)C1=CN=C(Cl)N=C1
Synonym	2-chloro-pyrimidine-5-carboxylic acid,2-chloro-5-carboxypyrimidine,5-carboxy-2-chloropyrimidine,5-pyrimidinecarboxylicacid, 2-chloro,2-chloro-5-pyrimidinecarboxylic acid,5-pyrimidinecarboxylic acid, 2-chloro,2-chloropyrimidine-5-carboxylicacid,acmc-1aig3,2-chloropyrimidine 5-carboxylic acid,2-chloro-5-pyrimidine carboxylic acid
IUPAC Name	2-chloropyrimidine-5-carboxylic acid
InChI Key	DUCXUPKLVVSJKA-UHFFFAOYSA-N
Molecular Formula	C5H3ClN2O2

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