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

Systemtic Name: 3-bromanyl-4-[4-[(3-chloranyl-4-phenylmethoxy-phenyl)methyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-[(4-benzyloxy-3-chloro-phenyl)methyl]piperazin-1-yl]-3-bromo-2H-pyrazolo[3,4-d]pyrimidine CAS Name: 3-bromo-4-[4-[(3-chloro-4-phenylmethoxyphenyl)methyl]-1-piperazinyl]-2H-pyrazolo[3,4-d]pyrimidine IUPAC Name: 3-bromo-4-[4-[(3-chloro-4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(4-benzoxy-3-chloro-benzyl)piperazino]-3-bromo-2H-pyrazolo[3,4-d]pyrimidine Formula: C23H22BrClN6O MolecularWeight: 513.81738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrClN6O/c24-21-20-22(29-28-21)26-15-27-23(20)31-10-8-30(9-11-31)13-17-6-7-19(18(25)12-17)32-14-16-4-2-1-3-5-16/h1-7,12,15H,8-11,13-14H2,(H,26,27,28,29)