EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H20N4O3S |
| Net Charge | 0 |
| Average Mass | 420.494 |
| Monoisotopic Mass | 420.12561 |
| SMILES | COc1ccc2c(c1)cc(C)c1nnc(SCC(=O)Nc3cccc(C(C)=O)c3)n12 |
| InChI | InChI=1S/C22H20N4O3S/c1-13-9-16-11-18(29-3)7-8-19(16)26-21(13)24-25-22(26)30-12-20(28)23-17-6-4-5-15(10-17)14(2)27/h4-11H,12H2,1-3H3,(H,23,28) |
| InChIKey | YDQTWBQMVSTLRU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(3-acetylphenyl)-2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetamide (CHEBI:93709) is a aromatic ketone (CHEBI:76224) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4197 | LINCS |