2-methylsulfanyl-5-[(2-methylsulfanyl-4-oxidanidyl-6-oxidanylidene-1H-pyrimidin-5-yl)-phenyl-methyl]-6-oxidanylidene-1H-pyrimidin-4-olate

Systemtic Name: 2-methylsulfanyl-5-[(2-methylsulfanyl-4-oxidanidyl-6-oxidanylidene-1H-pyrimidin-5-yl)-phenyl-methyl]-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-methylsulfanyl-5-[(2-methylsulfanyl-4-oxido-6-oxo-1H-pyrimidin-5-yl)-phenyl-methyl]-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-(methylthio)-5-[[2-(methylthio)-4-oxido-6-oxo-1H-pyrimidin-5-yl]-phenylmethyl]-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-methylsulfanyl-5-[(2-methylsulfanyl-4-oxido-6-oxo-1H-pyrimidin-5-yl)-phenylmethyl]-6-oxo-1H-pyrimidin-4-olate Traditional Name: 6-keto-5-[[6-keto-2-(methylthio)-4-oxido-1H-pyrimidin-5-yl]-phenyl-methyl]-2-(methylthio)-1H-pyrimidin-4-olate Formula: C17H14N4O4S2-2 MolecularWeight: 402.44746

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=O)N1)C(C2=CC=CC=C2)C3=C(N=C(NC3=O)SC)[O-])[O-]

Isomeric SMILES

CSC1=NC(=C(C(=O)N1)C(C2=CC=CC=C2)C3=C(N=C(NC3=O)SC)[O-])[O-]

InChI

InChI=1S/C17H16N4O4S2/c1-26-16-18-12(22)10(13(23)19-16)9(8-6-4-3-5-7-8)11-14(24)20-17(27-2)21-15(11)25/h3-7,9H,1-2H3,(H2,18,19,22,23)(H2,20,21,24,25)/p-2