4-chloranyl-3-methyl-1-(4-methylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: 4-chloranyl-3-methyl-1-(4-methylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 4-chloro-3-methyl-N-(4-methylpiperazin-4-ium-1-yl)-1-(p-tolyl)pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 4-chloro-3-methyl-1-(4-methylphenyl)-N-(4-methyl-1-piperazin-4-iumyl)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 4-chloro-3-methyl-1-(4-methylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 4-chloro-3-methyl-N-(4-methylpiperazin-4-ium-1-yl)-1-(p-tolyl)pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C20H24ClN6O+ MolecularWeight: 399.89716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NC=C(C(=C3C(=N2)C)Cl)C(=O)NN4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NC=C(C(=C3C(=N2)C)Cl)C(=O)NN4CC[NH+](CC4)C

InChI

InChI=1S/C20H23ClN6O/c1-13-4-6-15(7-5-13)27-19-17(14(2)23-27)18(21)16(12-22-19)20(28)24-26-10-8-25(3)9-11-26/h4-7,12H,8-11H2,1-3H3,(H,24,28)/p+1