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

Systemtic Name: 1-methyl-N-(2-methylphenyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-methyl-6-(4-methylpiperazin-4-ium-1-yl)-N-(o-tolyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-methyl-N-(2-methylphenyl)-6-(4-methyl-1-piperazin-4-iumyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-methyl-N-(2-methylphenyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-(o-tolyl)amine Formula: C18H24N7+ MolecularWeight: 338.43006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N7/c1-13-6-4-5-7-15(13)20-16-14-12-19-24(3)17(14)22-18(21-16)25-10-8-23(2)9-11-25/h4-7,12H,8-11H2,1-3H3,(H,20,21,22)/p+1