EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H19FN4O5S |
| Net Charge | 0 |
| Average Mass | 482.493 |
| Monoisotopic Mass | 482.10602 |
| SMILES | Cc1cccn2c(=O)c(C=C(C#N)C(=O)NC3CCS(=O)(=O)C3)c(Oc3ccc(F)cc3)nc12 |
| InChI | InChI=1S/C23H19FN4O5S/c1-14-3-2-9-28-20(14)27-22(33-18-6-4-16(24)5-7-18)19(23(28)30)11-15(12-25)21(29)26-17-8-10-34(31,32)13-17/h2-7,9,11,17H,8,10,13H2,1H3,(H,26,29) |
| InChIKey | ANTLQBMMFPNGQF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-cyano-N-(1,1-dioxo-3-thiolanyl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-propenamide (CHEBI:122040) is a aromatic ether (CHEBI:35618) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33483 | LINCS |