4-(4-methylphenyl)-2-methylsulfanyl-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-methylphenyl)-2-methylsulfanyl-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile Openeye Name: 2-methylsulfanyl-4-(4-phenylpiperazin-1-yl)-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(4-methylphenyl)-2-(methylthio)-6-(4-phenyl-1-piperazinyl)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-methylphenyl)-2-methylsulfanyl-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile Traditional Name: 2-(methylthio)-4-(4-phenylpiperazino)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C23H23N5S MolecularWeight: 401.52722

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5S/c1-17-8-10-18(11-9-17)21-20(16-24)22(26-23(25-21)29-2)28-14-12-27(13-15-28)19-6-4-3-5-7-19/h3-11H,12-15H2,1-2H3