EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H20N6O4S2 |
| Net Charge | 0 |
| Average Mass | 484.563 |
| Monoisotopic Mass | 484.09875 |
| SMILES | O=c1c2ccccc2nnn1CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 |
| InChI | InChI=1S/C21H20N6O4S2/c28-20-17-9-2-3-10-18(17)22-25-27(20)14-32-21-24-23-19(31-21)15-7-6-8-16(13-15)33(29,30)26-11-4-1-5-12-26/h2-3,6-10,13H,1,4-5,11-12,14H2 |
| InChIKey | PYCOMWAHDJNYTO-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[[[5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one (CHEBI:107427) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18781 | LINCS |