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

Systemtic Name: 3-bromanyl-4-[4-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine Openeye Name: 3-bromo-4-[4-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine CAS Name: 3-bromo-4-[4-[(4,6-dimethoxy-2-pyrimidinyl)-phenylmethyl]-1-piperazinyl]-2H-pyrazolo[3,4-d]pyrimidine IUPAC Name: 3-bromo-4-[4-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine Traditional Name: 3-bromo-4-[4-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]piperazino]-2H-pyrazolo[3,4-d]pyrimidine Formula: C22H23BrN8O2 MolecularWeight: 511.37442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)C(C2=CC=CC=C2)N3CCN(CC3)C4=NC=NC5=NNC(=C54)Br)OC

Isomeric SMILES

COC1=CC(=NC(=N1)C(C2=CC=CC=C2)N3CCN(CC3)C4=NC=NC5=NNC(=C54)Br)OC

InChI

InChI=1S/C22H23BrN8O2/c1-32-15-12-16(33-2)27-21(26-15)18(14-6-4-3-5-7-14)30-8-10-31(11-9-30)22-17-19(23)28-29-20(17)24-13-25-22/h3-7,12-13,18H,8-11H2,1-2H3,(H,24,25,28,29)