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

Systemtic Name: 5-[(S)-(4-fluorophenyl)-(1-methyl-6-oxidanidyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl)methyl]-1-methyl-2-sulfanylidene-pyrimidine-4,6-diolate Openeye Name: 5-[(S)-(4-fluorophenyl)-(1-methyl-6-oxido-4-oxo-2-thioxo-pyrimidin-5-yl)methyl]-1-methyl-2-thioxo-pyrimidine-4,6-diolate CAS Name: 5-[(S)-(4-fluorophenyl)-(1-methyl-6-oxido-4-oxo-2-sulfanylidene-5-pyrimidinyl)methyl]-1-methyl-2-sulfanylidenepyrimidine-4,6-diolate IUPAC Name: 5-[(S)-(4-fluorophenyl)-(1-methyl-6-oxido-4-oxo-2-sulfanylidenepyrimidin-5-yl)methyl]-1-methyl-2-sulfanylidenepyrimidine-4,6-diolate Traditional Name: 5-[(S)-(4-fluorophenyl)-(4-keto-1-methyl-6-oxido-2-thioxo-pyrimidin-5-yl)methyl]-1-methyl-2-thioxo-pyrimidine-4,6-diolate Formula: C17H12FN4O4S2-3 MolecularWeight: 419.429983

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C17H15FN4O4S2/c1-21-14(25)10(12(23)19-16(21)27)9(7-3-5-8(18)6-4-7)11-13(24)20-17(28)22(2)15(11)26/h3-6,9,25-26H,1-2H3,(H,19,23,27)(H,20,24,28)/p-3