1-(3-chlorophenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-(3-chlorophenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(3-chlorophenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-(3-chlorophenyl)-4-(4-methyl-1-piperazin-4-iumyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(3-chlorophenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-(3-chlorophenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Formula: C16H18ClN6+ MolecularWeight: 329.80732

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=NC3=C2C=NN3C4=CC(=CC=C4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=NC3=C2C=NN3C4=CC(=CC=C4)Cl

InChI

InChI=1S/C16H17ClN6/c1-21-5-7-22(8-6-21)15-14-10-20-23(16(14)19-11-18-15)13-4-2-3-12(17)9-13/h2-4,9-11H,5-8H2,1H3/p+1