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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-1-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(3-chloro-4-methyl-phenyl)-1-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(3-chloro-4-methylphenyl)-1-methyl-6-(4-methyl-1-piperazin-4-iumyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(3-chloro-4-methylphenyl)-1-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (3-chloro-4-methyl-phenyl)-[1-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C18H23ClN7+ MolecularWeight: 372.87512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC3=C2C=NN3C)N4CC[NH+](CC4)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC3=C2C=NN3C)N4CC[NH+](CC4)C)Cl

InChI

InChI=1S/C18H22ClN7/c1-12-4-5-13(10-15(12)19)21-16-14-11-20-25(3)17(14)23-18(22-16)26-8-6-24(2)7-9-26/h4-5,10-11H,6-9H2,1-3H3,(H,21,22,23)/p+1