EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H26N6O2 |
| Net Charge | 0 |
| Average Mass | 370.457 |
| Monoisotopic Mass | 370.21172 |
| SMILES | CCC(CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1 |
| InChI | InChI=1S/C19H26N6O2/c1-4-14(10-26)22-19-23-17(20-9-13-7-5-6-8-15(13)27)16-18(24-19)25(11-21-16)12(2)3/h5-8,11-12,14,26-27H,4,9-10H2,1-3H3,(H2,20,22,23,24) |
| InChIKey | NDUVSANREQEDRE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[[2-(1-hydroxybutan-2-ylamino)-9-propan-2-yl-6-purinyl]amino]methyl]phenol (CHEBI:95098) is a thiopurine (CHEBI:35666) |
| Manual Xrefs | Databases |
|---|---|
| LSM-6356 | LINCS |