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

Systemtic Name: 1-(3-chlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(3-chlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(3-chlorophenyl)-N-(4-methyl-1-piperazin-4-iumyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(3-chlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)amine Formula: C16H19ClN7+ MolecularWeight: 344.82196

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC2=NC=NC3=C2C=NN3C4=CC(=CC=C4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)NC2=NC=NC3=C2C=NN3C4=CC(=CC=C4)Cl

InChI

InChI=1S/C16H18ClN7/c1-22-5-7-23(8-6-22)21-15-14-10-20-24(16(14)19-11-18-15)13-4-2-3-12(17)9-13/h2-4,9-11H,5-8H2,1H3,(H,18,19,21)/p+1