EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H18N6O4S |
| Net Charge | 0 |
| Average Mass | 426.458 |
| Monoisotopic Mass | 426.11102 |
| SMILES | COc1ccc(-c2nnc3ccc(SCC(=O)Nc4cc(C)on4)nn23)cc1OC |
| InChI | InChI=1S/C19H18N6O4S/c1-11-8-15(24-29-11)20-17(26)10-30-18-7-6-16-21-22-19(25(16)23-18)12-4-5-13(27-2)14(9-12)28-3/h4-9H,10H2,1-3H3,(H,20,24,26) |
| InChIKey | FLXVLYWRPYHUMS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]-N-(5-methyl-3-isoxazolyl)acetamide (CHEBI:116468) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27922 | LINCS |