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

Systemtic Name: 4-(4-methylphenyl)-6-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfanyl-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(4-methylphenyl)-6-(4-methyl-1-piperazin-4-iumyl)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-methylphenyl)-6-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-2-(methylthio)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C18H22N5S+ MolecularWeight: 340.46578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)N3CC[NH+](CC3)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)N3CC[NH+](CC3)C)C#N

InChI

InChI=1S/C18H21N5S/c1-13-4-6-14(7-5-13)16-15(12-19)17(21-18(20-16)24-3)23-10-8-22(2)9-11-23/h4-7H,8-11H2,1-3H3/p+1