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

Systemtic Name: 3-bromanyl-4-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-[(3-benzyloxyphenyl)methyl]piperazin-1-yl]-3-bromo-2H-pyrazolo[3,4-d]pyrimidine CAS Name: 3-bromo-4-[4-[(3-phenylmethoxyphenyl)methyl]-1-piperazinyl]-2H-pyrazolo[3,4-d]pyrimidine IUPAC Name: 3-bromo-4-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(3-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(=CC=C2)OCC3=CC=CC=C3)C4=NC=NC5=NNC(=C54)Br

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=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)30-11-9-29(10-12-30)14-18-7-4-8-19(13-18)31-15-17-5-2-1-3-6-17/h1-8,13,16H,9-12,14-15H2,(H,25,26,27,28)