EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:109458 - 6-amino-5-cyano-4-(2-fluorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide
| Formula | C13H11FN4OS |
| Net Charge | 0 |
| Average Mass | 290.323 |
| Monoisotopic Mass | 290.06376 |
| SMILES | N#CC1=C(N)NC(=S)C(C(N)=O)C1c1ccccc1F |
| InChI | InChI=1S/C13H11FN4OS/c14-8-4-2-1-3-6(8)9-7(5-15)11(16)18-13(20)10(9)12(17)19/h1-4,9-10H,16H2,(H2,17,19)(H,18,20) |
| InChIKey | YAAPJKWMAGHGGK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-amino-5-cyano-4-(2-fluorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide (CHEBI:109458) has functional parent β-amino acid (CHEBI:33706) |
| 6-amino-5-cyano-4-(2-fluorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide (CHEBI:109458) is a organonitrogen compound (CHEBI:35352) |
| 6-amino-5-cyano-4-(2-fluorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide (CHEBI:109458) is a organooxygen compound (CHEBI:36963) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20855 | LINCS |