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

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C25H15F6N3O2 MolecularWeight: 503.395919

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C25H15F6N3O2/c26-24(27,28)17-10-16(11-18(12-17)25(29,30)31)23(35)36-20-8-6-19(7-9-20)34-22-13-21(32-14-33-22)15-4-2-1-3-5-15/h1-14H,(H,32,33,34)