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

Systemtic Name: 1-methyl-5-[(R)-(1-methyl-6-oxidanidyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-2-sulfanylidene-pyrimidine-4,6-diolate Openeye Name: 1-methyl-5-[(R)-(1-methyl-6-oxido-4-oxo-2-thioxo-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-2-thioxo-pyrimidine-4,6-diolate CAS Name: 1-methyl-5-[(R)-(1-methyl-6-oxido-4-oxo-2-sulfanylidene-5-pyrimidinyl)-(4-nitrophenyl)methyl]-2-sulfanylidenepyrimidine-4,6-diolate IUPAC Name: 1-methyl-5-[(R)-(1-methyl-6-oxido-4-oxo-2-sulfanylidenepyrimidin-5-yl)-(4-nitrophenyl)methyl]-2-sulfanylidenepyrimidine-4,6-diolate Traditional Name: 5-[(R)-(4-keto-1-methyl-6-oxido-2-thioxo-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-1-methyl-2-thioxo-pyrimidine-4,6-diolate Formula: C17H12N5O6S2-3 MolecularWeight: 446.43708

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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)N=C3[O-])C)[O-])[O-]

Isomeric SMILES

CN1C(=C(C(=O)NC1=S)[C@H](C2=CC=C(C=C2)[N+](=O)[O-])C3=C(N(C(=S)N=C3[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)/p-3