5-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H15BrN4O3 MolecularWeight: 439.2621

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5

InChI

InChI=1S/C20H15BrN4O3/c21-16-9-18-17(27-6-7-28-18)8-13(16)11-24-12-22-19-15(20(24)26)10-23-25(19)14-4-2-1-3-5-14/h1-5,8-10,12H,6-7,11H2