EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H22N4O3S |
| Net Charge | 0 |
| Average Mass | 410.499 |
| Monoisotopic Mass | 410.14126 |
| SMILES | COc1ccc(C=NNc2nc(-c3ccc(C)cc3)c(NC(C)=O)s2)cc1OC |
| InChI | InChI=1S/C21H22N4O3S/c1-13-5-8-16(9-6-13)19-20(23-14(2)26)29-21(24-19)25-22-12-15-7-10-17(27-3)18(11-15)28-4/h5-12H,1-4H3,(H,23,26)(H,24,25) |
| InChIKey | HDGPPVFZLOSWLZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-5-thiazolyl]acetamide (CHEBI:108216) is a dimethoxybenzene (CHEBI:51681) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19593 | LINCS |