EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H11N3O4S |
| Net Charge | 0 |
| Average Mass | 317.326 |
| Monoisotopic Mass | 317.04703 |
| SMILES | O=C(Nc1ccc2c(c1)OCO2)c1cnc2n(c1=O)CCS2 |
| InChI | InChI=1S/C14H11N3O4S/c18-12(9-6-15-14-17(13(9)19)3-4-22-14)16-8-1-2-10-11(5-8)21-7-20-10/h1-2,5-6H,3-4,7H2,(H,16,18) |
| InChIKey | JWYBEWDLIGFPPQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(1,3-benzodioxol-5-yl)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carboxamide (CHEBI:104943) is a benzodioxoles (CHEBI:38298) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16306 | LINCS |