4-(4-chlorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-chlorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(4-chlorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-(4-chlorophenyl)-6-[4-(2-methoxyphenyl)-1-piperazinyl]-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-chlorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(4-chlorophenyl)-6-[4-(2-methoxyphenyl)piperazino]-2-(methylthio)pyrimidine-5-carbonitrile Formula: C23H22ClN5OS MolecularWeight: 451.97168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=NC(=NC(=C3C#N)C4=CC=C(C=C4)Cl)SC

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=NC(=NC(=C3C#N)C4=CC=C(C=C4)Cl)SC

InChI

InChI=1S/C23H22ClN5OS/c1-30-20-6-4-3-5-19(20)28-11-13-29(14-12-28)22-18(15-25)21(26-23(27-22)31-2)16-7-9-17(24)10-8-16/h3-10H,11-14H2,1-2H3