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

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-2-pyridin-2-yl-pyrimidine-5-carbonitrile Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-2-(2-pyridyl)pyrimidine-5-carbonitrile CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-6-phenyl-2-(2-pyridinyl)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-2-pyridin-2-ylpyrimidine-5-carbonitrile Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-2-(2-pyridyl)pyrimidine-5-carbonitrile Formula: C21H21N6+ MolecularWeight: 357.43164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6/c1-26-11-13-27(14-12-26)21-17(15-22)19(16-7-3-2-4-8-16)24-20(25-21)18-9-5-6-10-23-18/h2-10H,11-14H2,1H3/p+1