EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H19N5O |
| Net Charge | 0 |
| Average Mass | 333.395 |
| Monoisotopic Mass | 333.15896 |
| SMILES | Cc1c(NCc2nc3ccccc3n2)c(=O)n(-c2ccccc2)n1C |
| InChI | InChI=1S/C19H19N5O/c1-13-18(19(25)24(23(13)2)14-8-4-3-5-9-14)20-12-17-21-15-10-6-7-11-16(15)22-17/h3-11,20H,12H2,1-2H3,(H,21,22) |
| InChIKey | UDDKKSYJXXGONM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(1H-benzimidazol-2-ylmethylamino)-1,5-dimethyl-2-phenyl-3-pyrazolone (CHEBI:103969) is a pyrazoles (CHEBI:26410) |
| 4-(1H-benzimidazol-2-ylmethylamino)-1,5-dimethyl-2-phenyl-3-pyrazolone (CHEBI:103969) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-15322 | LINCS |