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

Systemtic Name: 5-[(2-bromanyl-4,5-diethoxy-phenyl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(2-bromo-4,5-diethoxy-phenyl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(2-bromo-4,5-diethoxy-benzyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H21BrN4O3 MolecularWeight: 469.33114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4)Br)OCC

InChI

InChI=1S/C22H21BrN4O3/c1-3-29-19-10-15(18(23)11-20(19)30-4-2)13-26-14-24-21-17(22(26)28)12-25-27(21)16-8-6-5-7-9-16/h5-12,14H,3-4,13H2,1-2H3