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

Systemtic Name: 4-(4-methoxyphenyl)-6-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-2-yl-pyrimidine-5-carbonitrile Openeye Name: 4-(4-methoxyphenyl)-6-(4-methylpiperazin-4-ium-1-yl)-2-(2-pyridyl)pyrimidine-5-carbonitrile CAS Name: 4-(4-methoxyphenyl)-6-(4-methyl-1-piperazin-4-iumyl)-2-(2-pyridinyl)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-methoxyphenyl)-6-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-2-ylpyrimidine-5-carbonitrile Traditional Name: 4-(4-methoxyphenyl)-6-(4-methylpiperazin-4-ium-1-yl)-2-(2-pyridyl)pyrimidine-5-carbonitrile Formula: C22H23N6O+ MolecularWeight: 387.45762

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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=N4

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O/c1-27-11-13-28(14-12-27)22-18(15-23)20(16-6-8-17(29-2)9-7-16)25-21(26-22)19-5-3-4-10-24-19/h3-10H,11-14H2,1-2H3/p+1