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

Systemtic Name: 4-[4-(3-methylphenyl)piperazin-1-yl]-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 2-methylsulfanyl-4-[4-(m-tolyl)piperazin-1-yl]-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-[4-(3-methylphenyl)-1-piperazinyl]-2-(methylthio)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-[4-(3-methylphenyl)piperazin-1-yl]-2-methylsulfanyl-6-phenylpyrimidine-5-carbonitrile Traditional Name: 2-(methylthio)-4-[4-(m-tolyl)piperazino]-6-phenyl-pyrimidine-5-carbonitrile Formula: C23H23N5S MolecularWeight: 401.52722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C3=NC(=NC(=C3C#N)C4=CC=CC=C4)SC

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C3=NC(=NC(=C3C#N)C4=CC=CC=C4)SC

InChI

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