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

Systemtic Name: 1-methyl-5-[(1-methyl-2-methylsulfanyl-6-oxidanyl-4-oxidanylidene-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-2-methylsulfanyl-6-oxidanyl-pyrimidin-4-one Openeye Name: 6-hydroxy-5-[(6-hydroxy-1-methyl-2-methylsulfanyl-4-oxo-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-1-methyl-2-methylsulfanyl-pyrimidin-4-one CAS Name: 6-hydroxy-5-[[6-hydroxy-1-methyl-2-(methylthio)-4-oxo-5-pyrimidinyl]-(4-nitrophenyl)methyl]-1-methyl-2-(methylthio)-4-pyrimidinone IUPAC Name: 6-hydroxy-5-[(6-hydroxy-1-methyl-2-methylsulfanyl-4-oxopyrimidin-5-yl)-(4-nitrophenyl)methyl]-1-methyl-2-methylsulfanylpyrimidin-4-one Traditional Name: 6-hydroxy-5-[[6-hydroxy-4-keto-1-methyl-2-(methylthio)pyrimidin-5-yl]-(4-nitrophenyl)methyl]-1-methyl-2-(methylthio)pyrimidin-4-one Formula: C19H19N5O6S2 MolecularWeight: 477.51406

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N=C1SC)C(C2=CC=C(C=C2)[N+](=O)[O-])C3=C(N(C(=NC3=O)SC)C)O)O

Isomeric SMILES

CN1C(=C(C(=O)N=C1SC)C(C2=CC=C(C=C2)[N+](=O)[O-])C3=C(N(C(=NC3=O)SC)C)O)O

InChI

InChI=1S/C19H19N5O6S2/c1-22-16(27)12(14(25)20-18(22)31-3)11(9-5-7-10(8-6-9)24(29)30)13-15(26)21-19(32-4)23(2)17(13)28/h5-8,11,27-28H,1-4H3