EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H18N4O2S |
| Net Charge | 0 |
| Average Mass | 330.413 |
| Monoisotopic Mass | 330.11505 |
| SMILES | COc1cc2c3c(c1)C(=NNC(N)=S)C(=O)N3C(C)(C)C=C2C |
| InChI | InChI=1S/C16H18N4O2S/c1-8-7-16(2,3)20-13-10(8)5-9(22-4)6-11(13)12(14(20)21)18-19-15(17)23/h5-7H,1-4H3,(H3,17,19,23) |
| InChIKey | SJCOVFRLMALXRN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-19063 (CHEBI:107684) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19063 | LINCS |