EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H22FN3O5S |
| Net Charge | 0 |
| Average Mass | 483.521 |
| Monoisotopic Mass | 483.12642 |
| SMILES | COc1ccc(CCNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c(=O)c3sccc32)cc1OC |
| InChI | InChI=1S/C24H22FN3O5S/c1-32-19-8-3-15(13-20(19)33-2)9-11-26-21(29)14-27-18-10-12-34-22(18)23(30)28(24(27)31)17-6-4-16(25)5-7-17/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,26,29) |
| InChIKey | OIQDCULIPTUVMZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-fluorophenyl)-2,4-dioxo-1-thieno[3,2-d]pyrimidinyl]acetamide (CHEBI:105998) is a dimethoxybenzene (CHEBI:51681) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17359 | LINCS |