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

Systemtic Name: 4-(4-methylphenyl)-6-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(4-methylphenyl)-6-(4-methyl-1-piperazin-4-iumyl)-2-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-methylphenyl)-6-(4-methylpiperazin-4-ium-1-yl)-2-phenylpyrimidine-5-carbonitrile Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C23H24N5+ MolecularWeight: 370.47016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5/c1-17-8-10-18(11-9-17)21-20(16-24)23(28-14-12-27(2)13-15-28)26-22(25-21)19-6-4-3-5-7-19/h3-11H,12-15H2,1-2H3/p+1