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CHEBI:92343 - 4-cyanobenzoic acid [6-[[(4-methyl-2-pyrimidinyl)thio]methyl]-4-oxo-3-pyranyl] ester
| Formula | C19H13N3O4S |
| Net Charge | 0 |
| Average Mass | 379.397 |
| Monoisotopic Mass | 379.06268 |
| SMILES | Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(C#N)cc3)co2)n1 |
| InChI | InChI=1S/C19H13N3O4S/c1-12-6-7-21-19(22-12)27-11-15-8-16(23)17(10-25-15)26-18(24)14-4-2-13(9-20)3-5-14/h2-8,10H,11H2,1H3 |
| InChIKey | DMHSYFVBDUAXLD-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-cyanobenzoic acid [6-[[(4-methyl-2-pyrimidinyl)thio]methyl]-4-oxo-3-pyranyl] ester (CHEBI:92343) is a benzoate ester (CHEBI:36054) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2418 | LINCS |