4-methyl-6-[4-(phenylsulfonyl)piperazin-1-yl]-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pyrimidine

Systemtic Name: 4-methyl-6-[4-(phenylsulfonyl)piperazin-1-yl]-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-5-isopropyl-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-6-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pyrimidine Traditional Name: 4-(4-besylpiperazino)-5-isopropyl-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine Formula: C25H27F3N4O2S MolecularWeight: 504.56769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)C(F)(F)F)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)C(F)(F)F)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C(C)C

InChI

InChI=1S/C25H27F3N4O2S/c1-17(2)22-18(3)29-23(19-9-11-20(12-10-19)25(26,27)28)30-24(22)31-13-15-32(16-14-31)35(33,34)21-7-5-4-6-8-21/h4-12,17H,13-16H2,1-3H3