EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H21N3O3S |
| Net Charge | 0 |
| Average Mass | 455.539 |
| Monoisotopic Mass | 455.13036 |
| SMILES | Cc1cc(C)cc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2-c2ccccc2)c1 |
| InChI | InChI=1S/C26H21N3O3S/c1-16-12-17(2)14-18(13-16)27-22(30)15-33-26-28-23-20-10-6-7-11-21(20)32-24(23)25(31)29(26)19-8-4-3-5-9-19/h3-14H,15H2,1-2H3,(H,27,30) |
| InChIKey | QETUPVIBFGZSOV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(3,5-dimethylphenyl)-2-[(4-oxo-3-phenyl-2-benzofuro[3,2-d]pyrimidinyl)thio]acetamide (CHEBI:105961) is a benzofurans (CHEBI:35259) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17322 | LINCS |