1-(2-chlorophenyl)-4-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-(2-chlorophenyl)-4-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(2-chlorophenyl)-4-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-(2-chlorophenyl)-4-(4-ethyl-1-piperazin-4-iumyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(2-chlorophenyl)-4-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-(2-chlorophenyl)-4-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Formula: C17H20ClN6+ MolecularWeight: 343.8339

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC=NC3=C2C=NN3C4=CC=CC=C4Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC=NC3=C2C=NN3C4=CC=CC=C4Cl

InChI

InChI=1S/C17H19ClN6/c1-2-22-7-9-23(10-8-22)16-13-11-21-24(17(13)20-12-19-16)15-6-4-3-5-14(15)18/h3-6,11-12H,2,7-10H2,1H3/p+1