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

Systemtic Name: 1-methyl-5-[(R)-(1-methyl-6-oxidanidyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl)-pyridin-2-yl-methyl]-2-sulfanylidene-pyrimidine-4,6-diolate Openeye Name: 1-methyl-5-[(R)-(1-methyl-6-oxido-4-oxo-2-thioxo-pyrimidin-5-yl)-(2-pyridyl)methyl]-2-thioxo-pyrimidine-4,6-diolate CAS Name: 1-methyl-5-[(R)-(1-methyl-6-oxido-4-oxo-2-sulfanylidene-5-pyrimidinyl)-(2-pyridinyl)methyl]-2-sulfanylidenepyrimidine-4,6-diolate IUPAC Name: 1-methyl-5-[(R)-(1-methyl-6-oxido-4-oxo-2-sulfanylidenepyrimidin-5-yl)-pyridin-2-ylmethyl]-2-sulfanylidenepyrimidine-4,6-diolate Traditional Name: 5-[(R)-(4-keto-1-methyl-6-oxido-2-thioxo-pyrimidin-5-yl)-(2-pyridyl)methyl]-1-methyl-2-thioxo-pyrimidine-4,6-diolate Formula: C16H12N5O4S2-3 MolecularWeight: 402.42758

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)NC1=S)C(C2=CC=CC=N2)C3=C(N(C(=S)N=C3[O-])C)[O-])[O-]

Isomeric SMILES

CN1C(=C(C(=O)NC1=S)[C@H](C2=CC=CC=N2)C3=C(N(C(=S)N=C3[O-])C)[O-])[O-]

InChI

InChI=1S/C16H15N5O4S2/c1-20-13(24)9(11(22)18-15(20)26)8(7-5-3-4-6-17-7)10-12(23)19-16(27)21(2)14(10)25/h3-6,8,24-25H,1-2H3,(H,18,22,26)(H,19,23,27)/p-3