5-[(3-ethoxy-4-oxidanyl-phenyl)-(2-methylsulfanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]-2-methylsulfanyl-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 5-[(3-ethoxy-4-oxidanyl-phenyl)-(2-methylsulfanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]-2-methylsulfanyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 5-[(3-ethoxy-4-hydroxy-phenyl)-(4-hydroxy-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)methyl]-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one CAS Name: 5-[(3-ethoxy-4-hydroxyphenyl)-[4-hydroxy-2-(methylthio)-6-oxo-1H-pyrimidin-5-yl]methyl]-4-hydroxy-2-(methylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(3-ethoxy-4-hydroxyphenyl)-(4-hydroxy-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)methyl]-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one Traditional Name: 5-[(3-ethoxy-4-hydroxy-phenyl)-[4-hydroxy-6-keto-2-(methylthio)-1H-pyrimidin-5-yl]methyl]-4-hydroxy-2-(methylthio)-1H-pyrimidin-6-one Formula: C19H20N4O6S2 MolecularWeight: 464.5153

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=C(N=C(NC2=O)SC)O)C3=C(N=C(NC3=O)SC)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=C(N=C(NC2=O)SC)O)C3=C(N=C(NC3=O)SC)O)O

InChI

InChI=1S/C19H20N4O6S2/c1-4-29-10-7-8(5-6-9(10)24)11(12-14(25)20-18(30-2)21-15(12)26)13-16(27)22-19(31-3)23-17(13)28/h5-7,11,24H,4H2,1-3H3,(H2,20,21,25,26)(H2,22,23,27,28)