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

Systemtic Name: 2-(3-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine-5-carbonitrile Openeye Name: 2-(3-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine-5-carbonitrile CAS Name: 2-(3-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methyl-1-piperazin-4-iumyl)-5-pyrimidinecarbonitrile IUPAC Name: 2-(3-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine-5-carbonitrile Traditional Name: 2-(3-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine-5-carbonitrile Formula: C23H23ClN5O+ MolecularWeight: 420.91462

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=NC(=C2C#N)C3=CC=C(C=C3)OC)C4=CC(=CC=C4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=NC(=C2C#N)C3=CC=C(C=C3)OC)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H22ClN5O/c1-28-10-12-29(13-11-28)23-20(15-25)21(16-6-8-19(30-2)9-7-16)26-22(27-23)17-4-3-5-18(24)14-17/h3-9,14H,10-13H2,1-2H3/p+1