EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H9F3N4O3 |
| Net Charge | 0 |
| Average Mass | 338.245 |
| Monoisotopic Mass | 338.06267 |
| SMILES | COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)O)nc3n2)cc1 |
| InChI | InChI=1S/C14H9F3N4O3/c1-24-8-4-2-7(3-5-8)9-6-10(14(15,16)17)21-13(18-9)19-11(20-21)12(22)23/h2-6H,1H3,(H,22,23) |
| InChIKey | DVSYKPQCIYNPSG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-(4-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (CHEBI:116919) is a pyrimidines (CHEBI:39447) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28369 | LINCS |