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

Systemtic Name: 2-methylsulfanyl-5-[(2-methylsulfanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)-phenyl-methyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-[(4-hydroxy-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-phenyl-methyl]-2-methylsulfanyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-[[4-hydroxy-2-(methylthio)-6-oxo-1H-pyrimidin-5-yl]-phenylmethyl]-2-(methylthio)-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-[(4-hydroxy-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-phenylmethyl]-2-methylsulfanyl-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-[[4-hydroxy-6-keto-2-(methylthio)-1H-pyrimidin-5-yl]-phenyl-methyl]-2-(methylthio)-1H-pyrimidin-6-one Formula: C17H16N4O4S2 MolecularWeight: 404.46334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O4S2/c1-26-16-18-12(22)10(13(23)19-16)9(8-6-4-3-5-7-8)11-14(24)20-17(27-2)21-15(11)25/h3-7,9H,1-2H3,(H2,18,19,22,23)(H2,20,21,24,25)