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

Systemtic Name: 4-(4-chlorophenyl)-6-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-2-yl-pyrimidine-5-carbonitrile Openeye Name: 4-(4-chlorophenyl)-6-(4-methylpiperazin-4-ium-1-yl)-2-(2-pyridyl)pyrimidine-5-carbonitrile CAS Name: 4-(4-chlorophenyl)-6-(4-methyl-1-piperazin-4-iumyl)-2-(2-pyridinyl)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-chlorophenyl)-6-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-2-ylpyrimidine-5-carbonitrile Traditional Name: 4-(4-chlorophenyl)-6-(4-methylpiperazin-4-ium-1-yl)-2-(2-pyridyl)pyrimidine-5-carbonitrile Formula: C21H20ClN6+ MolecularWeight: 391.8767

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=NC(=C2C#N)C3=CC=C(C=C3)Cl)C4=CC=CC=N4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=NC(=C2C#N)C3=CC=C(C=C3)Cl)C4=CC=CC=N4

InChI

InChI=1S/C21H19ClN6/c1-27-10-12-28(13-11-27)21-17(14-23)19(15-5-7-16(22)8-6-15)25-20(26-21)18-4-2-3-9-24-18/h2-9H,10-13H2,1H3/p+1