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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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