EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H20N2O3S |
| Net Charge | 0 |
| Average Mass | 428.513 |
| Monoisotopic Mass | 428.11946 |
| SMILES | O=C(CSc1nc(Cc2ccccc2)nc2ccccc12)c1ccc2c(c1)OCCO2 |
| InChI | InChI=1S/C25H20N2O3S/c28-21(18-10-11-22-23(15-18)30-13-12-29-22)16-31-25-19-8-4-5-9-20(19)26-24(27-25)14-17-6-2-1-3-7-17/h1-11,15H,12-14,16H2 |
| InChIKey | JAOGFJKZKNUZCY-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(phenylmethyl)-4-quinazolinyl]thio]ethanone (CHEBI:105358) is a quinazolines (CHEBI:38530) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16721 | LINCS |