4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(4-fluorobenzyl)piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C22H22FN6+ MolecularWeight: 389.448683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)F)C3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)F)C3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C22H21FN6/c23-18-8-6-17(7-9-18)15-27-10-12-28(13-11-27)21-20-14-26-29(22(20)25-16-24-21)19-4-2-1-3-5-19/h1-9,14,16H,10-13,15H2/p+1