5-(4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-6-oxidanyl-1-phenyl-2-propylsulfanyl-pyrimidin-4-one

Systemtic Name: 5-(4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-6-oxidanyl-1-phenyl-2-propylsulfanyl-pyrimidin-4-one Openeye Name: 5-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-6-hydroxy-1-phenyl-2-propylsulfanyl-pyrimidin-4-one CAS Name: 5-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-6-hydroxy-1-phenyl-2-(propylthio)-4-pyrimidinone IUPAC Name: 5-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-6-hydroxy-1-phenyl-2-propylsulfanylpyrimidin-4-one Traditional Name: 6-hydroxy-5-(3-keto-4,5-dimethoxy-phthalan-1-yl)-1-phenyl-2-(propylthio)pyrimidin-4-one Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)O)C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3

Isomeric SMILES

CCCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)O)C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3

InChI

InChI=1S/C23H22N2O6S/c1-4-12-32-23-24-20(26)17(21(27)25(23)13-8-6-5-7-9-13)18-14-10-11-15(29-2)19(30-3)16(14)22(28)31-18/h5-11,18,27H,4,12H2,1-3H3