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

Systemtic Name: 2-methylsulfanyl-5-[(2-methylsulfanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-[(4-hydroxy-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-2-methylsulfanyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-[[4-hydroxy-2-(methylthio)-6-oxo-1H-pyrimidin-5-yl]-(4-nitrophenyl)methyl]-2-(methylthio)-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-[(4-hydroxy-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-2-methylsulfanyl-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-[[4-hydroxy-6-keto-2-(methylthio)-1H-pyrimidin-5-yl]-(4-nitrophenyl)methyl]-2-(methylthio)-1H-pyrimidin-6-one Formula: C17H15N5O6S2 MolecularWeight: 449.4609

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=O)N1)C(C2=CC=C(C=C2)[N+](=O)[O-])C3=C(N=C(NC3=O)SC)O)O

Isomeric SMILES

CSC1=NC(=C(C(=O)N1)C(C2=CC=C(C=C2)[N+](=O)[O-])C3=C(N=C(NC3=O)SC)O)O

InChI

InChI=1S/C17H15N5O6S2/c1-29-16-18-12(23)10(13(24)19-16)9(7-3-5-8(6-4-7)22(27)28)11-14(25)20-17(30-2)21-15(11)26/h3-6,9H,1-2H3,(H2,18,19,23,24)(H2,20,21,25,26)