EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H22N4 |
| Net Charge | 0 |
| Average Mass | 306.413 |
| Monoisotopic Mass | 306.18445 |
| SMILES | Cc1nn2c(NC(C)C)c3c(nc2c1-c1ccccc1)CCC3 |
| InChI | InChI=1S/C19H22N4/c1-12(2)20-18-15-10-7-11-16(15)21-19-17(13(3)22-23(18)19)14-8-5-4-6-9-14/h4-6,8-9,12,20H,7,10-11H2,1-3H3 |
| InChIKey | FTKGGDDYJKDDDL-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-20639 (CHEBI:109242) is a pyrazoles (CHEBI:26410) |
| LSM-20639 (CHEBI:109242) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20639 | LINCS |