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

Systemtic Name: 1-methyl-5-[(1-methyl-6-oxidanyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 6-hydroxy-5-[(6-hydroxy-1-methyl-4-oxo-2-thioxo-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-1-methyl-2-thioxo-pyrimidin-4-one CAS Name: 6-hydroxy-5-[(6-hydroxy-1-methyl-4-oxo-2-sulfanylidene-5-pyrimidinyl)-(4-nitrophenyl)methyl]-1-methyl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 6-hydroxy-5-[(6-hydroxy-1-methyl-4-oxo-2-sulfanylidenepyrimidin-5-yl)-(4-nitrophenyl)methyl]-1-methyl-2-sulfanylidenepyrimidin-4-one Traditional Name: 6-hydroxy-5-[(6-hydroxy-4-keto-1-methyl-2-thioxo-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-1-methyl-2-thioxo-pyrimidin-4-one Formula: C17H15N5O6S2 MolecularWeight: 449.4609

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)NC1=S)C(C2=CC=C(C=C2)[N+](=O)[O-])C3=C(N(C(=S)NC3=O)C)O)O

Isomeric SMILES

CN1C(=C(C(=O)NC1=S)C(C2=CC=C(C=C2)[N+](=O)[O-])C3=C(N(C(=S)NC3=O)C)O)O

InChI

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