4-(4-methylsulfonylphenyl)-5-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine

Systemtic Name: 4-(4-methylsulfonylphenyl)-5-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine Openeye Name: 4-(4-methylsulfonylphenyl)-5-phenyl-6-[4-(2-pyridyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine CAS Name: 4-(4-methylsulfonylphenyl)-5-phenyl-6-[4-(2-pyridinyl)-1-piperazinyl]-2-(trifluoromethyl)pyrimidine IUPAC Name: 4-(4-methylsulfonylphenyl)-5-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine Traditional Name: 4-(4-mesylphenyl)-5-phenyl-6-[4-(2-pyridyl)piperazino]-2-(trifluoromethyl)pyrimidine Formula: C27H24F3N5O2S MolecularWeight: 539.57197

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=NC(=N2)C(F)(F)F)N3CCN(CC3)C4=CC=CC=N4)C5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=NC(=N2)C(F)(F)F)N3CCN(CC3)C4=CC=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C27H24F3N5O2S/c1-38(36,37)21-12-10-20(11-13-21)24-23(19-7-3-2-4-8-19)25(33-26(32-24)27(28,29)30)35-17-15-34(16-18-35)22-9-5-6-14-31-22/h2-14H,15-18H2,1H3