EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H22N6O |
| Net Charge | 0 |
| Average Mass | 326.404 |
| Monoisotopic Mass | 326.18551 |
| SMILES | CC(C)n1cnc2c(NCc3ccccc3)nc(NCCO)nc21 |
| InChI | InChI=1S/C17H22N6O/c1-12(2)23-11-20-14-15(19-10-13-6-4-3-5-7-13)21-17(18-8-9-24)22-16(14)23/h3-7,11-12,24H,8-10H2,1-2H3,(H2,18,19,21,22) |
| InChIKey | WHDJEAZLMYPLGL-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]ethanol (CHEBI:93262) is a thiopurine (CHEBI:35666) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3607 | LINCS |