4-(4-methylphenyl)-6-[4-(3-methylphenyl)piperazin-1-yl]-2-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-methylphenyl)-6-[4-(3-methylphenyl)piperazin-1-yl]-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 2-methylsulfanyl-4-[4-(m-tolyl)piperazin-1-yl]-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(4-methylphenyl)-6-[4-(3-methylphenyl)-1-piperazinyl]-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-methylphenyl)-6-[4-(3-methylphenyl)piperazin-1-yl]-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 2-(methylthio)-4-[4-(m-tolyl)piperazino]-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C24H25N5S MolecularWeight: 415.5538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)N3CCN(CC3)C4=CC=CC(=C4)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)N3CCN(CC3)C4=CC=CC(=C4)C)C#N

InChI

InChI=1S/C24H25N5S/c1-17-7-9-19(10-8-17)22-21(16-25)23(27-24(26-22)30-3)29-13-11-28(12-14-29)20-6-4-5-18(2)15-20/h4-10,15H,11-14H2,1-3H3