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

Systemtic Name: 2-methylsulfanyl-5-[(2-methylsulfanyl-4-oxidanidyl-6-oxidanylidene-1H-pyrimidin-5-yl)-pyridin-4-yl-methyl]-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-methylsulfanyl-5-[(2-methylsulfanyl-4-oxido-6-oxo-1H-pyrimidin-5-yl)-(4-pyridyl)methyl]-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-(methylthio)-5-[[2-(methylthio)-4-oxido-6-oxo-1H-pyrimidin-5-yl]-pyridin-4-ylmethyl]-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-methylsulfanyl-5-[(2-methylsulfanyl-4-oxido-6-oxo-1H-pyrimidin-5-yl)-pyridin-4-ylmethyl]-6-oxo-1H-pyrimidin-4-olate Traditional Name: 6-keto-5-[[6-keto-2-(methylthio)-4-oxido-1H-pyrimidin-5-yl]-(4-pyridyl)methyl]-2-(methylthio)-1H-pyrimidin-4-olate Formula: C16H13N5O4S2-2 MolecularWeight: 403.43552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O4S2/c1-26-15-18-11(22)9(12(23)19-15)8(7-3-5-17-6-4-7)10-13(24)20-16(27-2)21-14(10)25/h3-6,8H,1-2H3,(H2,18,19,22,23)(H2,20,21,24,25)/p-2