EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H17N3O3S |
| Net Charge | 0 |
| Average Mass | 379.441 |
| Monoisotopic Mass | 379.09906 |
| SMILES | CCOc1ccccc1NC(=O)CSc1ncnc2c1oc1ccccc12 |
| InChI | InChI=1S/C20H17N3O3S/c1-2-25-16-10-6-4-8-14(16)23-17(24)11-27-20-19-18(21-12-22-20)13-7-3-5-9-15(13)26-19/h3-10,12H,2,11H2,1H3,(H,23,24) |
| InChIKey | YDIYGUJBMHNODQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(4-benzofuro[3,2-d]pyrimidinylthio)-N-(2-ethoxyphenyl)acetamide (CHEBI:105374) is a benzofurans (CHEBI:35259) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16737 | LINCS |