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

Systemtic Name: N-(4-methylphenyl)-6-(4-methylpiperazin-4-ium-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 6-(4-methylpiperazin-4-ium-1-yl)-N-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(4-methylphenyl)-6-(4-methyl-1-piperazin-4-iumyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine IUPAC Name: N-(4-methylphenyl)-6-(4-methylpiperazin-4-ium-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [6-(4-methylpiperazin-4-ium-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-(p-tolyl)amine Formula: C17H22N7+ MolecularWeight: 324.40348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC3=C2C=NN3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC3=C2C=NN3)N4CC[NH+](CC4)C

InChI

InChI=1S/C17H21N7/c1-12-3-5-13(6-4-12)19-15-14-11-18-22-16(14)21-17(20-15)24-9-7-23(2)8-10-24/h3-6,11H,7-10H2,1-2H3,(H2,18,19,20,21,22)/p+1