EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H18N2O3S |
| Net Charge | 0 |
| Average Mass | 378.453 |
| Monoisotopic Mass | 378.10381 |
| SMILES | COc1cc(-c2nc(-c3ccccc3)c(-c3cccs3)n2)cc(OC)c1O |
| InChI | InChI=1S/C21H18N2O3S/c1-25-15-11-14(12-16(26-2)20(15)24)21-22-18(13-7-4-3-5-8-13)19(23-21)17-9-6-10-27-17/h3-12,24H,1-2H3,(H,22,23) |
| InChIKey | JMXVHYPSBANVAQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| DPTIP (CHEBI:747374) is a organic molecular entity (CHEBI:50860) |
| Registry Numbers | Sources |
|---|---|
| CAS:351353-48-5 | CAS |