EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H17N5O4S2 |
| Net Charge | 0 |
| Average Mass | 419.488 |
| Monoisotopic Mass | 419.07220 |
| SMILES | Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CSc3ncccn3)cc2)c1C |
| InChI | InChI=1S/C17H17N5O4S2/c1-11-12(2)21-26-16(11)22-28(24,25)14-6-4-13(5-7-14)20-15(23)10-27-17-18-8-3-9-19-17/h3-9,22H,10H2,1-2H3,(H,20,23) |
| InChIKey | ITWOKBFSQVWDTA-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-2-(2-pyrimidinylthio)acetamide (CHEBI:120782) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32224 | LINCS |