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

Systemtic Name: 2-butylsulfanyl-5-[(1S)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]-1-methyl-6-oxidanyl-pyrimidin-4-one Openeye Name: 2-butylsulfanyl-5-[(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-6-hydroxy-1-methyl-pyrimidin-4-one CAS Name: 2-(butylthio)-5-[(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-6-hydroxy-1-methyl-4-pyrimidinone IUPAC Name: 2-butylsulfanyl-5-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-6-hydroxy-1-methylpyrimidin-4-one Traditional Name: 2-(butylthio)-6-hydroxy-5-[(1S)-3-keto-4,5-dimethoxy-phthalan-1-yl]-1-methyl-pyrimidin-4-one Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=O)C(=C(N1C)O)C2C3=C(C(=C(C=C3)OC)OC)C(=O)O2

Isomeric SMILES

CCCCSC1=NC(=O)C(=C(N1C)O)[C@@H]2C3=C(C(=C(C=C3)OC)OC)C(=O)O2

InChI

InChI=1S/C19H22N2O6S/c1-5-6-9-28-19-20-16(22)13(17(23)21(19)2)14-10-7-8-11(25-3)15(26-4)12(10)18(24)27-14/h7-8,14,23H,5-6,9H2,1-4H3/t14-/m0/s1