EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H16N4O2 |
| Net Charge | 0 |
| Average Mass | 308.341 |
| Monoisotopic Mass | 308.12733 |
| SMILES | CC(=O)c1cccc(NC(=O)c2cnn3c(C)cc(C)nc23)c1 |
| InChI | InChI=1S/C17H16N4O2/c1-10-7-11(2)21-16(19-10)15(9-18-21)17(23)20-14-6-4-5-13(8-14)12(3)22/h4-9H,1-3H3,(H,20,23) |
| InChIKey | KDXQSDAPHUEXSJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(3-acetylphenyl)-5,7-dimethyl-3-pyrazolo[1,5-a]pyrimidinecarboxamide (CHEBI:93313) is a aromatic amide (CHEBI:62733) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3670 | LINCS |