EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H23F3N6O |
| Net Charge | 0 |
| Average Mass | 480.494 |
| Monoisotopic Mass | 480.18854 |
| SMILES | COc1nc(/C=C/c2nc3n(n2)CCC[C@H]3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1 |
| InChI | InChI=1S/C25H23F3N6O/c1-16-14-33(15-29-16)21-11-9-17(30-24(21)35-2)10-12-22-31-23-19(7-5-13-34(23)32-22)18-6-3-4-8-20(18)25(26,27)28/h3-4,6,8-12,14-15,19H,5,7,13H2,1-2H3/b12-10+/t19-/m0/s1 |
| InChIKey | SSGLBUGNISHUAO-RDELFYGPSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| e-2212 (CHEBI:754810) is a (trifluoromethyl)benzenes (CHEBI:83565) |
| Synonyms | Source |
|---|---|
| E-2212 | ChEMBL |
| E2212 | ChEMBL |
| Citations |
|---|