[4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 4-(trifluoromethyl)benzoate

Systemtic Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 4-(trifluoromethyl)benzoate Openeye Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [4-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C25H18F3N3O2 MolecularWeight: 449.42453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C25H18F3N3O2/c1-16-29-22(17-5-3-2-4-6-17)15-23(30-16)31-20-11-13-21(14-12-20)33-24(32)18-7-9-19(10-8-18)25(26,27)28/h2-15H,1H3,(H,29,30,31)