EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H27N7O2 |
| Net Charge | 0 |
| Average Mass | 433.516 |
| Monoisotopic Mass | 433.22262 |
| SMILES | COc1ccc(C=NNc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1OC |
| InChI | InChI=1S/C23H27N7O2/c1-31-19-12-11-17(15-20(19)32-2)16-24-29-22-26-21(25-18-9-5-3-6-10-18)27-23(28-22)30-13-7-4-8-14-30/h3,5-6,9-12,15-16H,4,7-8,13-14H2,1-2H3,(H2,25,26,27,28,29) |
| InChIKey | IZOFUPNVUOGQTP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N2-[(3,4-dimethoxyphenyl)methylideneamino]-N4-phenyl-6-(1-piperidinyl)-1,3,5-triazine-2,4-diamine (CHEBI:112995) is a dimethoxybenzene (CHEBI:51681) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24405 | LINCS |