2-[(4-chlorophenyl)methylsulfanyl]-4-(3-methylphenyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(3-methylphenyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(4-methylpiperazin-4-ium-1-yl)-6-(m-tolyl)pyrimidine CAS Name: 2-[(4-chlorophenyl)methylthio]-4-(3-methylphenyl)-6-(4-methyl-1-piperazin-4-iumyl)pyrimidine IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(3-methylphenyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine Traditional Name: 2-[(4-chlorobenzyl)thio]-4-(4-methylpiperazin-4-ium-1-yl)-6-(m-tolyl)pyrimidine Formula: C23H26ClN4S+ MolecularWeight: 425.99734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN4S/c1-17-4-3-5-19(14-17)21-15-22(28-12-10-27(2)11-13-28)26-23(25-21)29-16-18-6-8-20(24)9-7-18/h3-9,14-15H,10-13,16H2,1-2H3/p+1