3-bromanyl-4-[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 3-bromanyl-4-[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-[(4-benzyloxyphenyl)methyl]piperazin-1-yl]-3-bromo-2H-pyrazolo[3,4-d]pyrimidine CAS Name: 3-bromo-4-[4-[(4-phenylmethoxyphenyl)methyl]-1-piperazinyl]-2H-pyrazolo[3,4-d]pyrimidine IUPAC Name: 3-bromo-4-[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(4-benzoxybenzyl)piperazino]-3-bromo-2H-pyrazolo[3,4-d]pyrimidine Formula: C23H23BrN6O MolecularWeight: 479.37232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=NC=NC5=NNC(=C54)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=NC=NC5=NNC(=C54)Br

InChI

InChI=1S/C23H23BrN6O/c24-21-20-22(28-27-21)25-16-26-23(20)30-12-10-29(11-13-30)14-17-6-8-19(9-7-17)31-15-18-4-2-1-3-5-18/h1-9,16H,10-15H2,(H,25,26,27,28)