[4-[(6-methylpyrimidin-4-yl)amino]phenyl] 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [4-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [4-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C20H13F6N3O2 MolecularWeight: 441.326539

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)NC2=CC=C(C=C2)OC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC(=NC=N1)NC2=CC=C(C=C2)OC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H13F6N3O2/c1-11-6-17(28-10-27-11)29-15-2-4-16(5-3-15)31-18(30)12-7-13(19(21,22)23)9-14(8-12)20(24,25)26/h2-10H,1H3,(H,27,28,29)