EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H22N6O4S |
| Net Charge | 0 |
| Average Mass | 478.534 |
| Monoisotopic Mass | 478.14232 |
| SMILES | CC1=CC(=C2C=C(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)NN2)C(=O)C=C1 |
| InChI | InChI=1S/C23H22N6O4S/c1-13-4-9-21(30)18(10-13)19-12-20(28-27-19)22(31)26-16-5-7-17(8-6-16)34(32,33)29-23-24-14(2)11-15(3)25-23/h4-12,27-28H,1-3H3,(H,26,31)(H,24,25,29) |
| InChIKey | INKWSVWCIRFNPH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]-5-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazole-3-carboxamide (CHEBI:112356) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-23768 | LINCS |