4-(4-methoxyphenyl)-2-(3-methylphenyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-methoxyphenyl)-2-(3-methylphenyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine-5-carbonitrile Openeye Name: 4-(4-methoxyphenyl)-6-(4-methylpiperazin-4-ium-1-yl)-2-(m-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(4-methoxyphenyl)-2-(3-methylphenyl)-6-(4-methyl-1-piperazin-4-iumyl)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-methoxyphenyl)-2-(3-methylphenyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine-5-carbonitrile Traditional Name: 4-(4-methoxyphenyl)-6-(4-methylpiperazin-4-ium-1-yl)-2-(m-tolyl)pyrimidine-5-carbonitrile Formula: C24H26N5O+ MolecularWeight: 400.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CC[NH+](CC3)C)C#N)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CC[NH+](CC3)C)C#N)C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H25N5O/c1-17-5-4-6-19(15-17)23-26-22(18-7-9-20(30-3)10-8-18)21(16-25)24(27-23)29-13-11-28(2)12-14-29/h4-10,15H,11-14H2,1-3H3/p+1