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

Systemtic Name: 4-(4-methylphenyl)-6-(4-methylpiperazin-4-ium-1-yl)-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 2-benzylsulfanyl-4-(4-methylpiperazin-4-ium-1-yl)-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(4-methylphenyl)-6-(4-methyl-1-piperazin-4-iumyl)-2-(phenylmethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-benzylsulfanyl-4-(4-methylphenyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine-5-carbonitrile Traditional Name: 2-(benzylthio)-4-(4-methylpiperazin-4-ium-1-yl)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C24H26N5S+ MolecularWeight: 416.56174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=CC=CC=C3)N4CC[NH+](CC4)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=CC=CC=C3)N4CC[NH+](CC4)C)C#N

InChI

InChI=1S/C24H25N5S/c1-18-8-10-20(11-9-18)22-21(16-25)23(29-14-12-28(2)13-15-29)27-24(26-22)30-17-19-6-4-3-5-7-19/h3-11H,12-15,17H2,1-2H3/p+1