Imidazopyrimidines
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Caffeine, 98.5%, specified according to the req. of USP/BP
CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C
| PubChem CID | 2519 |
|---|---|
| CAS | 58-08-2 |
| Molecular Weight (g/mol) | 194.19 |
| ChEBI | CHEBI:27732 |
| MDL Number | MFCD00005758 |
| SMILES | CN1C=NC2=C1C(=O)N(C)C(=O)N2C |
| Synonym | caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep |
| IUPAC Name | 1,3,7-trimethylpurine-2,6-dione |
| InChI Key | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
| Molecular Formula | C8H10N4O2 |
Xanthine, 98%
CAS: 69-89-6 Molecular Formula: C5H4N4O2 Molecular Weight (g/mol): 152.11 MDL Number: MFCD00078453 InChI Key: LRFVTYWOQMYALW-UHFFFAOYSA-N Synonym: xanthine,2,6-dihydroxypurine,xanthin,2,6-dioxopurine,pseudoxanthine,1h-purine-2,6 3h,7h-dione,isoxanthine,xanthic oxide,1h-purine-2,6-diol,9h-purine-2,6-diol PubChem CID: 1188 ChEBI: CHEBI:17712 IUPAC Name: 3,7-dihydropurine-2,6-dione SMILES: C1=NC2=C(N1)C(=O)NC(=O)N2
| PubChem CID | 1188 |
|---|---|
| CAS | 69-89-6 |
| Molecular Weight (g/mol) | 152.11 |
| ChEBI | CHEBI:17712 |
| MDL Number | MFCD00078453 |
| SMILES | C1=NC2=C(N1)C(=O)NC(=O)N2 |
| Synonym | xanthine,2,6-dihydroxypurine,xanthin,2,6-dioxopurine,pseudoxanthine,1h-purine-2,6 3h,7h-dione,isoxanthine,xanthic oxide,1h-purine-2,6-diol,9h-purine-2,6-diol |
| IUPAC Name | 3,7-dihydropurine-2,6-dione |
| InChI Key | LRFVTYWOQMYALW-UHFFFAOYSA-N |
| Molecular Formula | C5H4N4O2 |
Theophylline, 99+%, anhydrous
CAS: 58-55-9 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.17 MDL Number: MFCD00079619 InChI Key: ZFXYFBGIUFBOJW-UHFFFAOYSA-N Synonym: theophylline,1,3-dimethylxanthine,elixophyllin,theophyllin,theolair,nuelin,theophylline anhydrous,respbid,theocin,theo-dur PubChem CID: 2153 ChEBI: CHEBI:28177 IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2
| PubChem CID | 2153 |
|---|---|
| CAS | 58-55-9 |
| Molecular Weight (g/mol) | 180.17 |
| ChEBI | CHEBI:28177 |
| MDL Number | MFCD00079619 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC=N2 |
| Synonym | theophylline,1,3-dimethylxanthine,elixophyllin,theophyllin,theolair,nuelin,theophylline anhydrous,respbid,theocin,theo-dur |
| IUPAC Name | 1,3-dimethyl-7H-purine-2,6-dione |
| InChI Key | ZFXYFBGIUFBOJW-UHFFFAOYSA-N |
| Molecular Formula | C7H8N4O2 |
Thermo Scientific Chemicals 3-Isobutyl-1-methylxanthine, 99+%
CAS: 28822-58-4 Molecular Formula: C10H14N4O2 Molecular Weight (g/mol): 222.25 MDL Number: MFCD00005584 InChI Key: APIXJSLKIYYUKG-UHFFFAOYSA-N Synonym: 3-isobutyl-1-methylxanthine,ibmx,isobutylmethylxanthine,1-methyl-3-isobutylxanthine,methylisobutylxanthine,3-isobutyl-1-methyl-1h-purine-2,6 3h,7h-dione,xanthine, 3-isobutyl-1-methyl,3-isobutyl-1-methyxanthine,1h-purine-2,6-dione, 3,7-dihydro-1-methyl-3-2-methylpropyl,methyl-isobutylxanthine PubChem CID: 3758 ChEBI: CHEBI:43253 SMILES: CC(C)CN1C2=C(NC=N2)C(=O)N(C)C1=O
| PubChem CID | 3758 |
|---|---|
| CAS | 28822-58-4 |
| Molecular Weight (g/mol) | 222.25 |
| ChEBI | CHEBI:43253 |
| MDL Number | MFCD00005584 |
| SMILES | CC(C)CN1C2=C(NC=N2)C(=O)N(C)C1=O |
| Synonym | 3-isobutyl-1-methylxanthine,ibmx,isobutylmethylxanthine,1-methyl-3-isobutylxanthine,methylisobutylxanthine,3-isobutyl-1-methyl-1h-purine-2,6 3h,7h-dione,xanthine, 3-isobutyl-1-methyl,3-isobutyl-1-methyxanthine,1h-purine-2,6-dione, 3,7-dihydro-1-methyl-3-2-methylpropyl,methyl-isobutylxanthine |
| InChI Key | APIXJSLKIYYUKG-UHFFFAOYSA-N |
| Molecular Formula | C10H14N4O2 |
Thermo Scientific Chemicals Xanthosine dihydrate, 99%
CAS: 5968-90-1 Molecular Formula: C10H12N4O6·2H2O Molecular Weight (g/mol): 320.26 InChI Key: AQQAMLPKPXTPOL-GWTDSMLYSA-N Synonym: xanthosine dihydrate,unii-1u62i480sp,9-2r,3r,4s,5r-3,4-dihydroxy-5-hydroxymethyl tetrahydrofuran-2-yl-9h-purine-2,6-diol dihydrate,xanthosine, dihydrate,xanthosine dihydrate mi,xanthosine,dihydrate,9-beta-d-ribofuranosyl xanthine dihydrate,9-,a-d-ribofuranosylxanthine,xanthosine, dihydrate 8ci,9ci PubChem CID: 91886582 IUPAC Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione;hydrate SMILES: C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O.O
| PubChem CID | 91886582 |
|---|---|
| CAS | 5968-90-1 |
| Molecular Weight (g/mol) | 320.26 |
| SMILES | C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O.O |
| Synonym | xanthosine dihydrate,unii-1u62i480sp,9-2r,3r,4s,5r-3,4-dihydroxy-5-hydroxymethyl tetrahydrofuran-2-yl-9h-purine-2,6-diol dihydrate,xanthosine, dihydrate,xanthosine dihydrate mi,xanthosine,dihydrate,9-beta-d-ribofuranosyl xanthine dihydrate,9-,a-d-ribofuranosylxanthine,xanthosine, dihydrate 8ci,9ci |
| IUPAC Name | 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione;hydrate |
| InChI Key | AQQAMLPKPXTPOL-GWTDSMLYSA-N |
| Molecular Formula | C10H12N4O6·2H2O |
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 |
Thermo Scientific Chemicals Adenine sulfate, 98%, synthetic
CAS: 321-30-2 Molecular Formula: C10H12N10O4S Molecular Weight (g/mol): 368.33 MDL Number: MFCD00213655 InChI Key: LQXHSCOPYJCOMD-UHFFFAOYSA-N Synonym: adenine sulfate,adenine hemisulfate,7h-purin-6-amine sulfate 2:1,adeninsulfat,adeninium sulfate,adenine sulfate 2:1,adeninsulfat german,1h-purin-6-amine, sulfate 2:1,diadenine sulphate,unii-741gjf3k9m PubChem CID: 9449 IUPAC Name: 7H-purin-6-amine;sulfuric acid SMILES: OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1
| PubChem CID | 9449 |
|---|---|
| CAS | 321-30-2 |
| Molecular Weight (g/mol) | 368.33 |
| MDL Number | MFCD00213655 |
| SMILES | OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1 |
| Synonym | adenine sulfate,adenine hemisulfate,7h-purin-6-amine sulfate 2:1,adeninsulfat,adeninium sulfate,adenine sulfate 2:1,adeninsulfat german,1h-purin-6-amine, sulfate 2:1,diadenine sulphate,unii-741gjf3k9m |
| IUPAC Name | 7H-purin-6-amine;sulfuric acid |
| InChI Key | LQXHSCOPYJCOMD-UHFFFAOYSA-N |
| Molecular Formula | C10H12N10O4S |
Theobromine, 99%
CAS: 83-67-0 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.17 MDL Number: MFCD00022830 InChI Key: YAPQBXQYLJRXSA-UHFFFAOYSA-N Synonym: theobromine,3,7-dimethylxanthine,diurobromine,teobromin,theosalvose,theostene,santheose,thesodate,thesal,theobromin PubChem CID: 5429 ChEBI: CHEBI:28946 IUPAC Name: 3,7-dimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C
| PubChem CID | 5429 |
|---|---|
| CAS | 83-67-0 |
| Molecular Weight (g/mol) | 180.17 |
| ChEBI | CHEBI:28946 |
| MDL Number | MFCD00022830 |
| SMILES | CN1C=NC2=C1C(=O)NC(=O)N2C |
| Synonym | theobromine,3,7-dimethylxanthine,diurobromine,teobromin,theosalvose,theostene,santheose,thesodate,thesal,theobromin |
| IUPAC Name | 3,7-dimethylpurine-2,6-dione |
| InChI Key | YAPQBXQYLJRXSA-UHFFFAOYSA-N |
| Molecular Formula | C7H8N4O2 |
2-Fluoroadenine, 97%
CAS: 700-49-2 Molecular Formula: C5H4FN5 Molecular Weight (g/mol): 153.12 MDL Number: MFCD01632749 InChI Key: WKMPTBDYDNUJLF-UHFFFAOYSA-N Synonym: 2-fluoroadenine,2-fluoro-6-aminopurine,2-fluoro-1h-purin-6-amine,2-fad,2-fluoro-9h-purin-6-amine,6-amino-2-fluoropurine,2-fluoro-7 9 h-purin-6-ylamine,purine, 6-amino-2-fluoro,fluoroadenine,1h-purin-6-amine, 2-fluoro PubChem CID: 12790 ChEBI: CHEBI:72457 IUPAC Name: 2-fluoro-7H-purin-6-amine SMILES: NC1=C2NC=NC2=NC(F)=N1
| PubChem CID | 12790 |
|---|---|
| CAS | 700-49-2 |
| Molecular Weight (g/mol) | 153.12 |
| ChEBI | CHEBI:72457 |
| MDL Number | MFCD01632749 |
| SMILES | NC1=C2NC=NC2=NC(F)=N1 |
| Synonym | 2-fluoroadenine,2-fluoro-6-aminopurine,2-fluoro-1h-purin-6-amine,2-fad,2-fluoro-9h-purin-6-amine,6-amino-2-fluoropurine,2-fluoro-7 9 h-purin-6-ylamine,purine, 6-amino-2-fluoro,fluoroadenine,1h-purin-6-amine, 2-fluoro |
| IUPAC Name | 2-fluoro-7H-purin-6-amine |
| InChI Key | WKMPTBDYDNUJLF-UHFFFAOYSA-N |
| Molecular Formula | C5H4FN5 |
9-Methyladenine, 98%, Thermo Scientific Chemicals
CAS: 700-00-5 Molecular Formula: C6H7N5 Molecular Weight (g/mol): 149.16 MDL Number: MFCD00047232 InChI Key: WRXCXOUDSPTXNX-UHFFFAOYSA-N Synonym: 9-methyladenine,9-methyl-9h-purin-6-amine,n9-methyladenine,9-methyl-9h-adenine,6-amino-9-methylpurine,9h-purin-6-amine, 9-methyl,adenine, 9-methyl,9-methyl-9h-purin-6-ylamine,ccris 6905,chembl65976 PubChem CID: 69689 ChEBI: CHEBI:40526 IUPAC Name: 9-methylpurin-6-amine SMILES: CN1C=NC2=C(N)N=CN=C12
| PubChem CID | 69689 |
|---|---|
| CAS | 700-00-5 |
| Molecular Weight (g/mol) | 149.16 |
| ChEBI | CHEBI:40526 |
| MDL Number | MFCD00047232 |
| SMILES | CN1C=NC2=C(N)N=CN=C12 |
| Synonym | 9-methyladenine,9-methyl-9h-purin-6-amine,n9-methyladenine,9-methyl-9h-adenine,6-amino-9-methylpurine,9h-purin-6-amine, 9-methyl,adenine, 9-methyl,9-methyl-9h-purin-6-ylamine,ccris 6905,chembl65976 |
| IUPAC Name | 9-methylpurin-6-amine |
| InChI Key | WRXCXOUDSPTXNX-UHFFFAOYSA-N |
| Molecular Formula | C6H7N5 |
4,6-Dihydroxypyrazolo[3,4-d]pyrimidine, 99%
CAS: 2465-59-0 Molecular Formula: C5H4N4O2 Molecular Weight (g/mol): 152.11 MDL Number: MFCD00056934 InChI Key: HXNFUBHNUDHIGC-UHFFFAOYSA-N Synonym: oxypurinol,oxipurinol,alloxanthine,1h-pyrazolo 3,4-d pyrimidine-4,6-diol,oxoallopurinol,4,6-dihydroxypyrazolo 3,4-d pyrimidine,1h-pyrazolo 3,4-d pyrimidine-4,6 5h,7h-dione,oxipurinolum,1h-pyrazolo 3,4-d pyrimidine-4,6 2h,5h-dione,alloxanthin van PubChem CID: 4644 ChEBI: CHEBI:28315 IUPAC Name: 1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione SMILES: C1=C2C(=NC(=O)NC2=O)NN1
| PubChem CID | 4644 |
|---|---|
| CAS | 2465-59-0 |
| Molecular Weight (g/mol) | 152.11 |
| ChEBI | CHEBI:28315 |
| MDL Number | MFCD00056934 |
| SMILES | C1=C2C(=NC(=O)NC2=O)NN1 |
| Synonym | oxypurinol,oxipurinol,alloxanthine,1h-pyrazolo 3,4-d pyrimidine-4,6-diol,oxoallopurinol,4,6-dihydroxypyrazolo 3,4-d pyrimidine,1h-pyrazolo 3,4-d pyrimidine-4,6 5h,7h-dione,oxipurinolum,1h-pyrazolo 3,4-d pyrimidine-4,6 2h,5h-dione,alloxanthin van |
| IUPAC Name | 1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione |
| InChI Key | HXNFUBHNUDHIGC-UHFFFAOYSA-N |
| Molecular Formula | C5H4N4O2 |