EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H20N4O5S |
| Net Charge | 0 |
| Average Mass | 428.470 |
| Monoisotopic Mass | 428.11544 |
| SMILES | Cc1ccc2c(COn3nnc4ccc(S(=O)(=O)N(C)C)cc43)cc(=O)oc2c1C |
| InChI | InChI=1S/C20H20N4O5S/c1-12-5-7-16-14(9-19(25)29-20(16)13(12)2)11-28-24-18-10-15(30(26,27)23(3)4)6-8-17(18)21-22-24/h5-10H,11H2,1-4H3 |
| InChIKey | PPXUJBXRJOJKDM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methoxy]-N,N-dimethyl-5-benzotriazolesulfonamide (CHEBI:121629) is a coumarins (CHEBI:23403) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33072 | LINCS |