EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H13N5O2 |
| Net Charge | 0 |
| Average Mass | 271.280 |
| Monoisotopic Mass | 271.10692 |
| SMILES | Cn1c(=O)c2nc(Nc3ccccc3)nc2n(C)c1=O |
| InChI | InChI=1S/C13H13N5O2/c1-17-10-9(11(19)18(2)13(17)20)15-12(16-10)14-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,14,15,16) |
| InChIKey | RXCJTNUAETXUOY-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 8-anilino-1,3-dimethyl-7H-purine-2,6-dione (CHEBI:112165) is a oxopurine (CHEBI:25810) |
| Manual Xrefs | Databases |
|---|---|
| LSM-23577 | LINCS |