1-methyl-N-(2-methylphenyl)-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-methyl-N-(2-methylphenyl)-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-N-(o-tolyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-methyl-N-(2-methylphenyl)-6-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]-(o-tolyl)amine Formula: C24H28N7+ MolecularWeight: 414.52602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC3=C2C=NN3C)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC3=C2C=NN3C)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C24H27N7/c1-18-8-6-7-11-21(18)26-22-20-16-25-29(2)23(20)28-24(27-22)31-14-12-30(13-15-31)17-19-9-4-3-5-10-19/h3-11,16H,12-15,17H2,1-2H3,(H,26,27,28)/p+1