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

Systemtic Name: 3-bromanyl-4-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine Openeye Name: 3-bromo-4-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine CAS Name: 3-bromo-4-[4-[(3-phenoxyphenyl)methyl]-1-piperazinyl]-2H-pyrazolo[3,4-d]pyrimidine IUPAC Name: 3-bromo-4-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine Traditional Name: 3-bromo-4-[4-(3-phenoxybenzyl)piperazino]-2H-pyrazolo[3,4-d]pyrimidine Formula: C22H21BrN6O MolecularWeight: 465.34574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C4=NC=NC5=NNC(=C54)Br

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C4=NC=NC5=NNC(=C54)Br

InChI

InChI=1S/C22H21BrN6O/c23-20-19-21(27-26-20)24-15-25-22(19)29-11-9-28(10-12-29)14-16-5-4-8-18(13-16)30-17-6-2-1-3-7-17/h1-8,13,15H,9-12,14H2,(H,24,25,26,27)