EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H19N3O5S |
| Net Charge | 0 |
| Average Mass | 401.444 |
| Monoisotopic Mass | 401.10454 |
| SMILES | CCOc1ccc2cc(C3CC(c4ccco4)=NN3S(C)(=O)=O)c(=O)nc2c1 |
| InChI | InChI=1S/C19H19N3O5S/c1-3-26-13-7-6-12-9-14(19(23)20-15(12)10-13)17-11-16(18-5-4-8-27-18)21-22(17)28(2,24)25/h4-10,17H,3,11H2,1-2H3,(H,20,23) |
| InChIKey | ROUOWVCZUDHCAQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7-ethoxy-3-[5-(2-furanyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1H-quinolin-2-one (CHEBI:107395) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18749 | LINCS |