phenyl 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate

Systemtic Name: phenyl 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate Openeye Name: phenyl 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate CAS Name: 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid phenyl ester IUPAC Name: phenyl 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate Traditional Name: 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propionic acid phenyl ester Formula: C17H15F3N4O2 MolecularWeight: 364.32181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=NC(=NN12)C(F)(F)F)C)CCC(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC2=NC(=NN12)C(F)(F)F)C)CCC(=O)OC3=CC=CC=C3

InChI

InChI=1S/C17H15F3N4O2/c1-10-13(8-9-14(25)26-12-6-4-3-5-7-12)11(2)24-16(21-10)22-15(23-24)17(18,19)20/h3-7H,8-9H2,1-2H3