4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-pyrimidine

Systemtic Name: 4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-pyrimidine Openeye Name: 4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-pyrimidine CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)-6-(4-methyl-1-piperazin-4-iumyl)-2-phenylpyrimidine IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-4-ium-1-yl)-2-phenylpyrimidine Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-pyrimidine Formula: C20H25N6+ MolecularWeight: 349.4527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC(=NC(=N2)C3=CC=CC=C3)N4CC[NH+](CC4)C)C

Isomeric SMILES

CC1=CC(=NN1C2=CC(=NC(=N2)C3=CC=CC=C3)N4CC[NH+](CC4)C)C

InChI

InChI=1S/C20H24N6/c1-15-13-16(2)26(23-15)19-14-18(25-11-9-24(3)10-12-25)21-20(22-19)17-7-5-4-6-8-17/h4-8,13-14H,9-12H2,1-3H3/p+1