5-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxidanylidene-ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxidanylidene-ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-(2,3-dihydrobenzofuran-5-yl)-2-oxo-ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-(2,3-dihydrobenzofuran-5-yl)-2-oxoethyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(2-coumaran-5-yl-2-keto-ethyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H16N4O3 MolecularWeight: 372.37674

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C(=O)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5

Isomeric SMILES

C1COC2=C1C=C(C=C2)C(=O)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5

InChI

InChI=1S/C21H16N4O3/c26-18(14-6-7-19-15(10-14)8-9-28-19)12-24-13-22-20-17(21(24)27)11-23-25(20)16-4-2-1-3-5-16/h1-7,10-11,13H,8-9,12H2