5-[(R)-(3-nitrophenyl)-(6-oxidanidyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]-2-sulfanylidene-1H-pyrimidine-4,6-diolate

Systemtic Name: 5-[(R)-(3-nitrophenyl)-(6-oxidanidyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]-2-sulfanylidene-1H-pyrimidine-4,6-diolate Openeye Name: 5-[(R)-(3-nitrophenyl)-(6-oxido-4-oxo-2-thioxo-1H-pyrimidin-5-yl)methyl]-2-thioxo-1H-pyrimidine-4,6-diolate CAS Name: 5-[(R)-(3-nitrophenyl)-(6-oxido-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]-2-sulfanylidene-1H-pyrimidine-4,6-diolate IUPAC Name: 5-[(R)-(3-nitrophenyl)-(6-oxido-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]-2-sulfanylidene-1H-pyrimidine-4,6-diolate Traditional Name: 5-[(R)-(4-keto-6-oxido-2-thioxo-1H-pyrimidin-5-yl)-(3-nitrophenyl)methyl]-2-thioxo-1H-pyrimidine-4,6-diolate Formula: C15H8N5O6S2-3 MolecularWeight: 418.38392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(C2=C(NC(=S)NC2=O)[O-])C3=C(NC(=S)N=C3[O-])[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])[C@@H](C2=C(NC(=S)NC2=O)[O-])C3=C(NC(=S)N=C3[O-])[O-]

InChI

InChI=1S/C15H11N5O6S2/c21-10-8(11(22)17-14(27)16-10)7(5-2-1-3-6(4-5)20(25)26)9-12(23)18-15(28)19-13(9)24/h1-4,7H,(H3,16,17,21,22,27)(H3,18,19,23,24,28)/p-3