EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:121154 - 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Formula | C20H16FN3O4S |
| Net Charge | 0 |
| Average Mass | 413.430 |
| Monoisotopic Mass | 413.08456 |
| SMILES | O=C1NC(=S)N(Cc2ccc(F)cc2)C(=O)C1=CNCc1ccc2c(c1)OCO2 |
| InChI | InChI=1S/C20H16FN3O4S/c21-14-4-1-12(2-5-14)10-24-19(26)15(18(25)23-20(24)29)9-22-8-13-3-6-16-17(7-13)28-11-27-16/h1-7,9,22H,8,10-11H2,(H,23,25,29) |
| InChIKey | AVWBDTSGDBMBDL-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione (CHEBI:121154) is a benzodioxoles (CHEBI:38298) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32597 | LINCS |