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

Systemtic Name: 5-[(4-fluorophenyl)-(2-methylsulfanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]-2-methylsulfanyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 5-[(4-fluorophenyl)-(4-hydroxy-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)methyl]-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one CAS Name: 5-[(4-fluorophenyl)-[4-hydroxy-2-(methylthio)-6-oxo-1H-pyrimidin-5-yl]methyl]-4-hydroxy-2-(methylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(4-fluorophenyl)-(4-hydroxy-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)methyl]-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one Traditional Name: 5-[(4-fluorophenyl)-[4-hydroxy-6-keto-2-(methylthio)-1H-pyrimidin-5-yl]methyl]-4-hydroxy-2-(methylthio)-1H-pyrimidin-6-one Formula: C17H15FN4O4S2 MolecularWeight: 422.453803

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=O)N1)C(C2=CC=C(C=C2)F)C3=C(N=C(NC3=O)SC)O)O

Isomeric SMILES

CSC1=NC(=C(C(=O)N1)C(C2=CC=C(C=C2)F)C3=C(N=C(NC3=O)SC)O)O

InChI

InChI=1S/C17H15FN4O4S2/c1-27-16-19-12(23)10(13(24)20-16)9(7-3-5-8(18)6-4-7)11-14(25)21-17(28-2)22-15(11)26/h3-6,9H,1-2H3,(H2,19,20,23,24)(H2,21,22,25,26)