EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H17N3O2S |
| Net Charge | 0 |
| Average Mass | 327.409 |
| Monoisotopic Mass | 327.10415 |
| SMILES | COc1ccc(-c2csc(Nc3ncccc3C)n2)cc1OC |
| InChI | InChI=1S/C17H17N3O2S/c1-11-5-4-8-18-16(11)20-17-19-13(10-23-17)12-6-7-14(21-2)15(9-12)22-3/h4-10H,1-3H3,(H,18,19,20) |
| InChIKey | QLDLWULSIMIMHS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(3,4-dimethoxyphenyl)-N-(3-methyl-2-pyridinyl)-2-thiazolamine (CHEBI:114862) is a dimethoxybenzene (CHEBI:51681) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26324 | LINCS |