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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-[(4-chlorophenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-[(4-chlorophenyl)methyl]-4-(4-methyl-1-piperazin-4-iumyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-(4-chlorobenzyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Formula: C17H20ClN6+ MolecularWeight: 343.8339

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=NC3=C2C=NN3CC4=CC=C(C=C4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=NC3=C2C=NN3CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H19ClN6/c1-22-6-8-23(9-7-22)16-15-10-21-24(17(15)20-12-19-16)11-13-2-4-14(18)5-3-13/h2-5,10,12H,6-9,11H2,1H3/p+1