4-[4-(2-propan-2-ylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-[4-(2-propan-2-ylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Openeye Name: 4-[4-(2-isopropylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidine CAS Name: 4-[4-[(2-propan-2-ylphenyl)thio]-3-(trifluoromethyl)phenyl]-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-[4-(2-propan-2-ylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Traditional Name: 4-[4-(o-cumenylthio)-3-(trifluoromethyl)phenyl]-6-[4-(2-pyridyl)piperazino]pyrimidine Formula: C29H28F3N5S MolecularWeight: 535.62633

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C3=CC(=NC=N3)N4CCN(CC4)C5=CC=CC=N5)C(F)(F)F

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C3=CC(=NC=N3)N4CCN(CC4)C5=CC=CC=N5)C(F)(F)F

InChI

InChI=1S/C29H28F3N5S/c1-20(2)22-7-3-4-8-25(22)38-26-11-10-21(17-23(26)29(30,31)32)24-18-28(35-19-34-24)37-15-13-36(14-16-37)27-9-5-6-12-33-27/h3-12,17-20H,13-16H2,1-2H3