EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H16N4O2 |
| Net Charge | 0 |
| Average Mass | 332.363 |
| Monoisotopic Mass | 332.12733 |
| SMILES | Cc1ccccc1-n1c(=O)n(Cc2ccccc2)c(=O)c2ncnc21 |
| InChI | InChI=1S/C19H16N4O2/c1-13-7-5-6-10-15(13)23-17-16(20-12-21-17)18(24)22(19(23)25)11-14-8-3-2-4-9-14/h2-10,12H,11H2,1H3,(H,20,21) |
| InChIKey | QMQODBDFNQBURQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-benzyl-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione (CHEBI:235307) is a organic molecular entity (CHEBI:50860) |
| Synonym | Source |
|---|---|
| Compound K5 | SUBMITTER |
| Citations |
|---|