4-(4-methylphenyl)-2-(phenylmethylsulfanyl)-6-piperidin-1-yl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-methylphenyl)-2-(phenylmethylsulfanyl)-6-piperidin-1-yl-pyrimidine-5-carbonitrile Openeye Name: 2-benzylsulfanyl-4-(1-piperidyl)-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(4-methylphenyl)-2-(phenylmethylthio)-6-(1-piperidinyl)-5-pyrimidinecarbonitrile IUPAC Name: 2-benzylsulfanyl-4-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-5-carbonitrile Traditional Name: 2-(benzylthio)-4-piperidino-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C24H24N4S MolecularWeight: 400.53916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=CC=CC=C3)N4CCCCC4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=CC=CC=C3)N4CCCCC4)C#N

InChI

InChI=1S/C24H24N4S/c1-18-10-12-20(13-11-18)22-21(16-25)23(28-14-6-3-7-15-28)27-24(26-22)29-17-19-8-4-2-5-9-19/h2,4-5,8-13H,3,6-7,14-15,17H2,1H3