EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H21N3O2 |
| Net Charge | 0 |
| Average Mass | 323.396 |
| Monoisotopic Mass | 323.16338 |
| SMILES | Cc1nnc(N=CC2C(=O)CC(C)(C)CC2=O)c1-c1ccccc1 |
| InChI | InChI=1S/C19H21N3O2/c1-12-17(13-7-5-4-6-8-13)18(22-21-12)20-11-14-15(23)9-19(2,3)10-16(14)24/h4-8,11,14H,9-10H2,1-3H3,(H,21,22) |
| InChIKey | APWDKGYMBHLHFT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-31333 (CHEBI:119889) is a pyrazoles (CHEBI:26410) |
| LSM-31333 (CHEBI:119889) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31333 | LINCS |