5-[(4-bromanyl-2,5-dimethoxy-phenyl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[(4-bromanyl-2,5-dimethoxy-phenyl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(4-bromo-2,5-dimethoxy-phenyl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(4-bromo-2,5-dimethoxyphenyl)methyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(4-bromo-2,5-dimethoxyphenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(4-bromo-2,5-dimethoxy-benzyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H17BrN4O3 MolecularWeight: 441.27798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4)OC)Br

InChI

InChI=1S/C20H17BrN4O3/c1-27-17-9-16(21)18(28-2)8-13(17)11-24-12-22-19-15(20(24)26)10-23-25(19)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3