EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C17H17F3N4O4 |
| Net Charge | 0 |
| Average Mass | 398.341 |
| Monoisotopic Mass | 398.12019 |
| SMILES | CCOC(=O)C1=C(C(F)(F)F)N=C2N=CNN2C1c1cccc(OC)c1OC |
| InChI | InChI=1S/C17H17F3N4O4/c1-4-28-15(25)11-12(9-6-5-7-10(26-2)13(9)27-3)24-16(21-8-22-24)23-14(11)17(18,19)20/h5-8,12H,4H2,1-3H3,(H,21,22,23) |
| InChIKey | QEWPEMXZDHNPNK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7-(2,3-dimethoxyphenyl)-5-(trifluoromethyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester (CHEBI:108273) is a dimethoxybenzene (CHEBI:51681) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19650 | LINCS |