5-[(1S)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]-2-methylsulfanyl-6-oxidanyl-1-phenyl-pyrimidin-4-one

Systemtic Name: 5-[(1S)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]-2-methylsulfanyl-6-oxidanyl-1-phenyl-pyrimidin-4-one Openeye Name: 5-[(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-6-hydroxy-2-methylsulfanyl-1-phenyl-pyrimidin-4-one CAS Name: 5-[(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-6-hydroxy-2-(methylthio)-1-phenyl-4-pyrimidinone IUPAC Name: 5-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-6-hydroxy-2-methylsulfanyl-1-phenylpyrimidin-4-one Traditional Name: 6-hydroxy-5-[(1S)-3-keto-4,5-dimethoxy-phthalan-1-yl]-2-(methylthio)-1-phenyl-pyrimidin-4-one Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)C3=C(N(C(=NC3=O)SC)C4=CC=CC=C4)O)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)[C@H](OC2=O)C3=C(N(C(=NC3=O)SC)C4=CC=CC=C4)O)OC

InChI

InChI=1S/C21H18N2O6S/c1-27-13-10-9-12-14(17(13)28-2)20(26)29-16(12)15-18(24)22-21(30-3)23(19(15)25)11-7-5-4-6-8-11/h4-10,16,25H,1-3H3/t16-/m0/s1