EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H13N3O4S |
| Net Charge | 0 |
| Average Mass | 331.353 |
| Monoisotopic Mass | 331.06268 |
| SMILES | O=C1NC(=S)N(C2CC2)C(=O)C1=CNc1ccc2c(c1)OCO2 |
| InChI | InChI=1S/C15H13N3O4S/c19-13-10(14(20)18(9-2-3-9)15(23)17-13)6-16-8-1-4-11-12(5-8)22-7-21-11/h1,4-6,9,16H,2-3,7H2,(H,17,19,23) |
| InChIKey | JOMMASUXUYHPOR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CHEBI:115610) is a benzodioxoles (CHEBI:38298) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27067 | LINCS |