4-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenyl-6-(propan-2-ylsulfanylmethyl)pyrimidine

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenyl-6-(propan-2-ylsulfanylmethyl)pyrimidine Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(isopropylsulfanylmethyl)-2-phenyl-pyrimidine CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-2-phenyl-6-[(propan-2-ylthio)methyl]pyrimidine IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenyl-6-(propan-2-ylsulfanylmethyl)pyrimidine Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-6-[(isopropylthio)methyl]-2-phenyl-pyrimidine Formula: C24H27ClN4S MolecularWeight: 439.01598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC1=CC(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)SCC1=CC(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H27ClN4S/c1-18(2)30-17-21-16-23(27-24(26-21)19-7-4-3-5-8-19)29-13-11-28(12-14-29)22-10-6-9-20(25)15-22/h3-10,15-16,18H,11-14,17H2,1-2H3