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Imidazopyrimidines

Organic heterocyclic compounds that contain an imidazole ring fused to a pyrimidine ring. Imidazole is five-membered ring with three carbon atoms and two nitrogen atoms; pyrimidine is a six-membered ring with four carbon atoms and two nitrogen atoms.
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1 – 15 of 46 results
1

2-Amino-6-hydroxy-8-mercaptopurine, 97%

CAS: 28128-40-7 Molecular Formula: C5H5N5OS Molecular Weight (g/mol): 183.19 MDL Number: MFCD00075623 InChI Key: JHEKNTQSGTVPAO-UHFFFAOYSA-N Synonym: 2-amino-6-hydroxy-8-mercaptopurine,8-mercaptoguanine,2-amino-8-mercapto-7h-purin-6-ol,2-amino-8-sulfanyl-1,9-dihydro-6h-purin-6-one,2-amino-1,7,8,9-tetrahydro-2-thioxo-6h-purin-6-one,2-amino-8-mercapto-1,9-dihydro-purin-6-one,2-amino-8-thioxo-3,7-dihydropurin-6-one,2-amino-8-sulfanyl-7h-purin-6-ol,2-amino-8-sulfanyl-9h-purin-6-ol,2-amino-8-thioxo-1,7,8,9-tetrahydro-purin-6-one PubChem CID: 2725005 IUPAC Name: 2-amino-8-sulfanylidene-7,9-dihydro-3H-purin-6-one SMILES: C12=C(NC(=NC1=O)N)NC(=S)N2

PubChem CID 2725005
CAS 28128-40-7
Molecular Weight (g/mol) 183.19
MDL Number MFCD00075623
SMILES C12=C(NC(=NC1=O)N)NC(=S)N2
Synonym 2-amino-6-hydroxy-8-mercaptopurine,8-mercaptoguanine,2-amino-8-mercapto-7h-purin-6-ol,2-amino-8-sulfanyl-1,9-dihydro-6h-purin-6-one,2-amino-1,7,8,9-tetrahydro-2-thioxo-6h-purin-6-one,2-amino-8-mercapto-1,9-dihydro-purin-6-one,2-amino-8-thioxo-3,7-dihydropurin-6-one,2-amino-8-sulfanyl-7h-purin-6-ol,2-amino-8-sulfanyl-9h-purin-6-ol,2-amino-8-thioxo-1,7,8,9-tetrahydro-purin-6-one
IUPAC Name 2-amino-8-sulfanylidene-7,9-dihydro-3H-purin-6-one
InChI Key JHEKNTQSGTVPAO-UHFFFAOYSA-N
Molecular Formula C5H5N5OS
2

Uric acid, 99%, Thermo Scientific Chemicals

CAS: 69-93-2 Molecular Formula: C5H4N4O3 Molecular Weight (g/mol): 168.112 MDL Number: MFCD00005712 InChI Key: LEHOTFFKMJEONL-UHFFFAOYSA-N Synonym: uric acid,urate,2,6,8-trioxypurine,lithic acid,2,6,8-trihydroxypurine,2,6,8-trioxopurine,1h-purine-2,6,8-triol,8-hydroxyxanthine,7,9-dihydro-1h-purine-2,6,8 3h-trione,1h-purine-2,6,8 3h-trione, 7,9-dihydro PubChem CID: 1175 ChEBI: CHEBI:17775 IUPAC Name: 7,9-dihydro-3H-purine-2,6,8-trione SMILES: C12=C(NC(=O)N1)NC(=O)NC2=O

PubChem CID 1175
CAS 69-93-2
Molecular Weight (g/mol) 168.112
ChEBI CHEBI:17775
MDL Number MFCD00005712
SMILES C12=C(NC(=O)N1)NC(=O)NC2=O
Synonym uric acid,urate,2,6,8-trioxypurine,lithic acid,2,6,8-trihydroxypurine,2,6,8-trioxopurine,1h-purine-2,6,8-triol,8-hydroxyxanthine,7,9-dihydro-1h-purine-2,6,8 3h-trione,1h-purine-2,6,8 3h-trione, 7,9-dihydro
IUPAC Name 7,9-dihydro-3H-purine-2,6,8-trione
InChI Key LEHOTFFKMJEONL-UHFFFAOYSA-N
Molecular Formula C5H4N4O3
3

Theophylline-7-acetic acid, 98%

CAS: 652-37-9 Molecular Formula: C9H9N4NaO4 Molecular Weight (g/mol): 260.19 MDL Number: MFCD00022832 InChI Key: MSFVZSOKOXZSME-UHFFFAOYSA-M Synonym: acefylline,theophylline-7-acetic acid,acephylline,theophyllineacetic acid,carboxymethyltheophylline,7-carboxymethyl theophylline,7-theophyllinylacetic acid,theophyllin-7-ylacetic acid,7-theophyllinessigsaeure,7-theophyllineacetic acid PubChem CID: 69550 IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid SMILES: [Na+].CN1C2=C(N(CC([O-])=O)C=N2)C(=O)N(C)C1=O

PubChem CID 69550
CAS 652-37-9
Molecular Weight (g/mol) 260.19
MDL Number MFCD00022832
SMILES [Na+].CN1C2=C(N(CC([O-])=O)C=N2)C(=O)N(C)C1=O
Synonym acefylline,theophylline-7-acetic acid,acephylline,theophyllineacetic acid,carboxymethyltheophylline,7-carboxymethyl theophylline,7-theophyllinylacetic acid,theophyllin-7-ylacetic acid,7-theophyllinessigsaeure,7-theophyllineacetic acid
IUPAC Name 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
InChI Key MSFVZSOKOXZSME-UHFFFAOYSA-M
Molecular Formula C9H9N4NaO4
4

2-Amino-6-mercaptopurine, TRC

CAS: 154-42-7 Molecular Formula: C5 H5 N5 S Molecular Weight (g/mol): 167.19 Synonym: 6H-Purine-6-thione, 2-amino-1,9-dihydro-,6H-Purine-6-thione, 2-amino-1,7-dihydro- (9CI),Purine-6(1H)-thione, 2,3-dihydro-2-imino- (6CI),Purine-6(1H)-thione, 2-amino- (7CI,8CI),Purine-6-thiol, 2-amino- (8CI),2-Amino-3,7-dihydropurine-6-thione,2-Amino-6-mercaptopurine,2-Amino-9H-purine-6(1H)-thione,2-Amino-9H-purine-6-thiol,2-Aminopurine-6-thiol,6-Mercaptoguanine,6-TG,6-Thioguanine,Guanine, thio-,Lanvis,NSC 752,NSC 76504,Tabloid,Thioguanine,Thioguanine Tabloid,Tioguanin,Tioguanine IUPAC Name: 2-amino-1,7-dihydropurine-6-thione SMILES: NC1=Nc2nc[nH]c2C(=S)N1

CAS 154-42-7
Molecular Weight (g/mol) 167.19
SMILES NC1=Nc2nc[nH]c2C(=S)N1
Synonym 6H-Purine-6-thione, 2-amino-1,9-dihydro-,6H-Purine-6-thione, 2-amino-1,7-dihydro- (9CI),Purine-6(1H)-thione, 2,3-dihydro-2-imino- (6CI),Purine-6(1H)-thione, 2-amino- (7CI,8CI),Purine-6-thiol, 2-amino- (8CI),2-Amino-3,7-dihydropurine-6-thione,2-Amino-6-mercaptopurine,2-Amino-9H-purine-6(1H)-thione,2-Amino-9H-purine-6-thiol,2-Aminopurine-6-thiol,6-Mercaptoguanine,6-TG,6-Thioguanine,Guanine, thio-,Lanvis,NSC 752,NSC 76504,Tabloid,Thioguanine,Thioguanine Tabloid,Tioguanin,Tioguanine
IUPAC Name 2-amino-1,7-dihydropurine-6-thione
Molecular Formula C5 H5 N5 S
5

Uric acid, 99% max., MP Biomedicals™

CAS: 69-93-2 Molecular Formula: C5H4N4O3 Molecular Weight (g/mol): 168.112 InChI Key: LEHOTFFKMJEONL-UHFFFAOYSA-N Synonym: uric acid,urate,2,6,8-trioxypurine,lithic acid,2,6,8-trihydroxypurine,2,6,8-trioxopurine,1h-purine-2,6,8-triol,8-hydroxyxanthine,7,9-dihydro-1h-purine-2,6,8 3h-trione,1h-purine-2,6,8 3h-trione, 7,9-dihydro PubChem CID: 1175 ChEBI: CHEBI:17775 IUPAC Name: 7,9-dihydro-3H-purine-2,6,8-trione SMILES: C12=C(NC(=O)N1)NC(=O)NC2=O

PubChem CID 1175
CAS 69-93-2
Molecular Weight (g/mol) 168.112
ChEBI CHEBI:17775
SMILES C12=C(NC(=O)N1)NC(=O)NC2=O
Synonym uric acid,urate,2,6,8-trioxypurine,lithic acid,2,6,8-trihydroxypurine,2,6,8-trioxopurine,1h-purine-2,6,8-triol,8-hydroxyxanthine,7,9-dihydro-1h-purine-2,6,8 3h-trione,1h-purine-2,6,8 3h-trione, 7,9-dihydro
IUPAC Name 7,9-dihydro-3H-purine-2,6,8-trione
InChI Key LEHOTFFKMJEONL-UHFFFAOYSA-N
Molecular Formula C5H4N4O3
6

2-Amino-6,8-dihydroxypurine Hydrochloride (~90%), TRC

CAS: 1246818-54-1 Molecular Formula: C5H6ClN5O2 Molecular Weight (g/mol): 203.59 Synonym: 2-Amino-7,9-dihydro-1H-purine-6,8-dione Hydrochloride,2-Amino-6,8-purinediol Hydrochloride,8-Hydroxyguanine Hydrochloride,8-Oxo-7,8-dihydroguanine Hydrochloride,8-Oxoguanine Hydrochloride,NSC 22720; IUPAC Name: 2-amino-8-hydroxy-1,7-dihydropurin-6-one;hydrochloride SMILES: C12=C(NC(=N)N=C1O)NC(=N2)O.Cl

CAS 1246818-54-1
Molecular Weight (g/mol) 203.59
SMILES C12=C(NC(=N)N=C1O)NC(=N2)O.Cl
Synonym 2-Amino-7,9-dihydro-1H-purine-6,8-dione Hydrochloride,2-Amino-6,8-purinediol Hydrochloride,8-Hydroxyguanine Hydrochloride,8-Oxo-7,8-dihydroguanine Hydrochloride,8-Oxoguanine Hydrochloride,NSC 22720;
IUPAC Name 2-amino-8-hydroxy-1,7-dihydropurin-6-one;hydrochloride
Molecular Formula C5H6ClN5O2
7

Uric Acid, TRC

CAS: 69-93-2 Molecular Formula: C5 H4 N4 O3 Molecular Weight (g/mol): 168.11 Synonym: 7,9-Dihydro-1H-purine-2,6,8(3H)-trione (ACI),Uric acid (8CI),1H-Purine-2,6,8-triol,2,3,6,7,8,9-Hexahydro-1H-purine-2,6,8-trione,2,6,8-Trihydroxypurine,2,6,8-Trioxopurine,2,6,8-Trioxypurine,Lithic acid,NSC 3975,Purine-2,6,8(1H,3H,9H)-trione,1H-Purine-2,6,8(3H)-trione, 7,9-dihydro- (9CI, ACI) IUPAC Name: 7,9-dihydro-3H-purine-2,6,8-trione SMILES: O=C1NC(=O)C2=C(NC(=O)N2)N1

CAS 69-93-2
Molecular Weight (g/mol) 168.11
SMILES O=C1NC(=O)C2=C(NC(=O)N2)N1
Synonym 7,9-Dihydro-1H-purine-2,6,8(3H)-trione (ACI),Uric acid (8CI),1H-Purine-2,6,8-triol,2,3,6,7,8,9-Hexahydro-1H-purine-2,6,8-trione,2,6,8-Trihydroxypurine,2,6,8-Trioxopurine,2,6,8-Trioxypurine,Lithic acid,NSC 3975,Purine-2,6,8(1H,3H,9H)-trione,1H-Purine-2,6,8(3H)-trione, 7,9-dihydro- (9CI, ACI)
IUPAC Name 7,9-dihydro-3H-purine-2,6,8-trione
Molecular Formula C5 H4 N4 O3
8

1,3-Dimethyluric Acid, TRC

CAS: 944-73-0 Molecular Formula: C7H8N4O3 Molecular Weight (g/mol): 196.16 Synonym: 7,9-Dihydro-1,3-dimethyl-1H-purine-2,6,8(3H)-trione,1,3-Dimethyl Uric Acid; IUPAC Name: 1,3-dimethyl-7,9-dihydropurine-2,6,8-trione SMILES: CN1C(=O)N(C)C2=C(NC(=O)N2)C1=O

CAS 944-73-0
Molecular Weight (g/mol) 196.16
SMILES CN1C(=O)N(C)C2=C(NC(=O)N2)C1=O
Synonym 7,9-Dihydro-1,3-dimethyl-1H-purine-2,6,8(3H)-trione,1,3-Dimethyl Uric Acid;
IUPAC Name 1,3-dimethyl-7,9-dihydropurine-2,6,8-trione
Molecular Formula C7H8N4O3
9

1-Methyluric Acid, TRC

CAS: 708-79-2 Molecular Formula: C6 H6 N4 O3 Molecular Weight (g/mol): 182.14 Synonym: 7,9-Dihydro-1-methyl-1H-purine-2,6,8(3H)-trione,1-Methyl-uric Acid; IUPAC Name: 1-methyl-7,9-dihydro-3H-purine-2,6,8-trione SMILES: CN1C(=O)NC2=C(NC(=O)N2)C1=O

CAS 708-79-2
Molecular Weight (g/mol) 182.14
SMILES CN1C(=O)NC2=C(NC(=O)N2)C1=O
Synonym 7,9-Dihydro-1-methyl-1H-purine-2,6,8(3H)-trione,1-Methyl-uric Acid;
IUPAC Name 1-methyl-7,9-dihydro-3H-purine-2,6,8-trione
Molecular Formula C6 H6 N4 O3
10

Uric Acid-1,3-15N2, TRC

CAS: 62948-75-8 Molecular Formula: C5 H4 15N2 N2 O3 Molecular Weight (g/mol): 170.1 Synonym: 7,9-dihydro-1H-Purine-2,6,8(3H)-trione-1,3-15N2 IUPAC Name: 7,9-dihydro-3H-purine-2,6,8-trione SMILES: O=C1[15NH]C(=O)C2=C([15NH]1)NC(=O)N2

CAS 62948-75-8
Molecular Weight (g/mol) 170.1
SMILES O=C1[15NH]C(=O)C2=C([15NH]1)NC(=O)N2
Synonym 7,9-dihydro-1H-Purine-2,6,8(3H)-trione-1,3-15N2
IUPAC Name 7,9-dihydro-3H-purine-2,6,8-trione
Molecular Formula C5 H4 15N2 N2 O3
11

2-Amino-1,7-dihydro-7-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-6H-purin-6-one, TRC

CAS: 84222-50-4 Molecular Formula: C9 H13 N5 O4 Molecular Weight (g/mol): 255.23 Synonym: 2-Amino-7-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-1,7-dihydro-6H-purin-6-one,Ganciclovir Imp. H (EP),N-7 Isomer of Ganciclovir IUPAC Name: 2-amino-7-(1,3-dihydroxypropan-2-yloxymethyl)-1H-purin-6-one SMILES: NC1=Nc2ncn(COC(CO)CO)c2C(=O)N1

CAS 84222-50-4
Molecular Weight (g/mol) 255.23
SMILES NC1=Nc2ncn(COC(CO)CO)c2C(=O)N1
Synonym 2-Amino-7-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-1,7-dihydro-6H-purin-6-one,Ganciclovir Imp. H (EP),N-7 Isomer of Ganciclovir
IUPAC Name 2-amino-7-(1,3-dihydroxypropan-2-yloxymethyl)-1H-purin-6-one
Molecular Formula C9 H13 N5 O4
12

Phytic acid dodecasodium hydrate, MedChemExpress

MedChemExpress Phytic acid (Inositol hexaphosphate) dodecasodium hydrate is a phosphorus storage compound of seeds and cereal grains.

ENCOMPASS_PREFERRED
14

Tenofovir disoproxil fumarate, 98%, Thermo Scientific Chemicals

CAS: 202138-50-9 Molecular Formula: C19H30N5O10P·C4H4O4 Molecular Weight (g/mol): 635.51 InChI Key: VCMJCVGFSROFHV-WZGZYPNHSA-N Synonym: tenofovir disoproxil fumarate,viread,tenofovir df,unii-ott9j7900i,tenofovir disoproxil fumarate usan,9-r-2-bis isopropoxycarbonyl oxy methoxy phosphinyl methoxy propyl adenine fumarate,9-r-2-bis isopropoxycarbonyl oxy methoxy phosphinyl methoxy propyl adenine, fumarate,r-5-2-6-amino-9h-purin-9-yl-1-methylethoxy methyl-2,4,6,8-tetraoxa-5-phosphanonanedioic acid, bis 1-methylethyl ester, 5-oxide, e-2-butenedioate 1:1,9-r-2-bis isopropoxycarbonyl oxy methoxy phosphinyl methoxy propyl adenine fumarate 1:1 PubChem CID: 6398764 ChEBI: CHEBI:63718 IUPAC Name: [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;(E)-but-2-enedioic acid SMILES: CC(C)OC(=O)OCOP(=O)(COC(C)CN1C=NC2=C1N=CN=C2N)OCOC(=O)OC(C)C.C(=CC(=O)O)C(=O)O

PubChem CID 6398764
CAS 202138-50-9
Molecular Weight (g/mol) 635.51
ChEBI CHEBI:63718
SMILES CC(C)OC(=O)OCOP(=O)(COC(C)CN1C=NC2=C1N=CN=C2N)OCOC(=O)OC(C)C.C(=CC(=O)O)C(=O)O
Synonym tenofovir disoproxil fumarate,viread,tenofovir df,unii-ott9j7900i,tenofovir disoproxil fumarate usan,9-r-2-bis isopropoxycarbonyl oxy methoxy phosphinyl methoxy propyl adenine fumarate,9-r-2-bis isopropoxycarbonyl oxy methoxy phosphinyl methoxy propyl adenine, fumarate,r-5-2-6-amino-9h-purin-9-yl-1-methylethoxy methyl-2,4,6,8-tetraoxa-5-phosphanonanedioic acid, bis 1-methylethyl ester, 5-oxide, e-2-butenedioate 1:1,9-r-2-bis isopropoxycarbonyl oxy methoxy phosphinyl methoxy propyl adenine fumarate 1:1
IUPAC Name [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;(E)-but-2-enedioic acid
InChI Key VCMJCVGFSROFHV-WZGZYPNHSA-N
Molecular Formula C19H30N5O10P·C4H4O4
15

Thermo Scientific Chemicals Adenine, 99%

CAS: 73-24-5 Molecular Formula: C5H5N5 Molecular Weight (g/mol): 135.13 MDL Number: MFCD00041790 InChI Key: GFFGJBXGBJISGV-UHFFFAOYSA-N Synonym: adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine PubChem CID: 190 ChEBI: CHEBI:16708 IUPAC Name: 7H-purin-6-amine SMILES: NC1=C2NC=NC2=NC=N1

PubChem CID 190
CAS 73-24-5
Molecular Weight (g/mol) 135.13
ChEBI CHEBI:16708
MDL Number MFCD00041790
SMILES NC1=C2NC=NC2=NC=N1
Synonym adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine
IUPAC Name 7H-purin-6-amine
InChI Key GFFGJBXGBJISGV-UHFFFAOYSA-N
Molecular Formula C5H5N5