EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H16N8 |
| Net Charge | 0 |
| Average Mass | 272.316 |
| Monoisotopic Mass | 272.14979 |
| SMILES | CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 |
| InChI | InChI=1S/C12H16N8/c1-3-4-5-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-6-7-15-20/h6-7H,3-5H2,1-2H3,(H2,13,16,17) |
| InChIKey | CYYQMAWUIRPCNW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| st1535 (CHEBI:748722) is a purines (CHEBI:26401) |
| Synonyms | Source |
|---|---|
| Ct-1500 | ChEMBL |
| St-1535 | ChEMBL |
| St1535 | ChEMBL |
| Citations |
|---|