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

Systemtic Name: 4-(4-chlorophenyl)-6-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-(4-chlorophenyl)-6-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-(4-chlorophenyl)-6-(4-methyl-1-piperazin-4-iumyl)-2-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-chlorophenyl)-6-(4-methylpiperazin-4-ium-1-yl)-2-phenylpyrimidine-5-carbonitrile Traditional Name: 4-(4-chlorophenyl)-6-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-pyrimidine-5-carbonitrile Formula: C22H21ClN5+ MolecularWeight: 390.88864

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN5/c1-27-11-13-28(14-12-27)22-19(15-24)20(16-7-9-18(23)10-8-16)25-21(26-22)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3/p+1