EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H22N4O2 |
| Net Charge | 0 |
| Average Mass | 338.411 |
| Monoisotopic Mass | 338.17428 |
| SMILES | Cc1nn(-c2ccccc2)c2nc(=O)c(CNCC3CCCO3)cc1-2 |
| InChI | InChI=1S/C19H22N4O2/c1-13-17-10-14(11-20-12-16-8-5-9-25-16)19(24)21-18(17)23(22-13)15-6-3-2-4-7-15/h2-4,6-7,10,16,20,22H,5,8-9,11-12H2,1H3 |
| InChIKey | CZIGCRDGPBGIIC-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-methyl-5-[(2-oxolanylmethylamino)methyl]-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one (CHEBI:117238) is a pyrazoles (CHEBI:26410) |
| 3-methyl-5-[(2-oxolanylmethylamino)methyl]-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one (CHEBI:117238) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28687 | LINCS |