N-(4-methylphenyl)-6-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-(4-methylphenyl)-6-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 6-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-N-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(4-methylphenyl)-6-(4-methyl-1-piperazin-4-iumyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(4-methylphenyl)-6-(4-methylpiperazin-4-ium-1-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [6-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]-(p-tolyl)amine Formula: C23H26N7+ MolecularWeight: 400.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)N5CC[NH+](CC5)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)N5CC[NH+](CC5)C

InChI

InChI=1S/C23H25N7/c1-17-8-10-18(11-9-17)25-21-20-16-24-30(19-6-4-3-5-7-19)22(20)27-23(26-21)29-14-12-28(2)13-15-29/h3-11,16H,12-15H2,1-2H3,(H,25,26,27)/p+1