3-bromanyl-4-[4-[(4,6-dimethoxypyrimidin-2-yl)methyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 3-bromanyl-4-[4-[(4,6-dimethoxypyrimidin-2-yl)methyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine Openeye Name: 3-bromo-4-[4-[(4,6-dimethoxypyrimidin-2-yl)methyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine CAS Name: 3-bromo-4-[4-[(4,6-dimethoxy-2-pyrimidinyl)methyl]-1-piperazinyl]-2H-pyrazolo[3,4-d]pyrimidine IUPAC Name: 3-bromo-4-[4-[(4,6-dimethoxypyrimidin-2-yl)methyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine Traditional Name: 3-bromo-4-[4-[(4,6-dimethoxypyrimidin-2-yl)methyl]piperazino]-2H-pyrazolo[3,4-d]pyrimidine Formula: C16H19BrN8O2 MolecularWeight: 435.27846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)CN2CCN(CC2)C3=NC=NC4=NNC(=C43)Br)OC

Isomeric SMILES

COC1=CC(=NC(=N1)CN2CCN(CC2)C3=NC=NC4=NNC(=C43)Br)OC

InChI

InChI=1S/C16H19BrN8O2/c1-26-11-7-12(27-2)21-10(20-11)8-24-3-5-25(6-4-24)16-13-14(17)22-23-15(13)18-9-19-16/h7,9H,3-6,8H2,1-2H3,(H,18,19,22,23)