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

Systemtic Name: 5-[(2-ethoxyphenyl)-(2-methylsulfanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]-2-methylsulfanyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 5-[(2-ethoxyphenyl)-(4-hydroxy-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)methyl]-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one CAS Name: 5-[(2-ethoxyphenyl)-[4-hydroxy-2-(methylthio)-6-oxo-1H-pyrimidin-5-yl]methyl]-4-hydroxy-2-(methylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(2-ethoxyphenyl)-(4-hydroxy-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)methyl]-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-[[4-hydroxy-6-keto-2-(methylthio)-1H-pyrimidin-5-yl]-o-phenetyl-methyl]-2-(methylthio)-1H-pyrimidin-6-one Formula: C19H20N4O5S2 MolecularWeight: 448.5159

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C2=C(N=C(NC2=O)SC)O)C3=C(N=C(NC3=O)SC)O

Isomeric SMILES

CCOC1=CC=CC=C1C(C2=C(N=C(NC2=O)SC)O)C3=C(N=C(NC3=O)SC)O

InChI

InChI=1S/C19H20N4O5S2/c1-4-28-10-8-6-5-7-9(10)11(12-14(24)20-18(29-2)21-15(12)25)13-16(26)22-19(30-3)23-17(13)27/h5-8,11H,4H2,1-3H3,(H2,20,21,24,25)(H2,22,23,26,27)