4-[(phenylmethyl)amino]-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-[(phenylmethyl)amino]-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile Openeye Name: 4-(benzylamino)-2-(2-pyridyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile CAS Name: 4-[(phenylmethyl)amino]-2-(2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-5-pyrimidinecarbonitrile IUPAC Name: 4-(benzylamino)-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile Traditional Name: 4-(benzylamino)-2-(2-pyridyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile Formula: C24H16F3N5 MolecularWeight: 431.41255

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NC(=C2C#N)C3=CC(=CC=C3)C(F)(F)F)C4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NC(=C2C#N)C3=CC(=CC=C3)C(F)(F)F)C4=CC=CC=N4

InChI

InChI=1S/C24H16F3N5/c25-24(26,27)18-10-6-9-17(13-18)21-19(14-28)22(30-15-16-7-2-1-3-8-16)32-23(31-21)20-11-4-5-12-29-20/h1-13H,15H2,(H,30,31,32)