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

Systemtic Name: 5-[(4-chlorophenyl)-(2-methylsulfanyl-4-oxidanidyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]-2-methylsulfanyl-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 5-[(4-chlorophenyl)-(2-methylsulfanyl-4-oxido-6-oxo-1H-pyrimidin-5-yl)methyl]-2-methylsulfanyl-6-oxo-1H-pyrimidin-4-olate CAS Name: 5-[(4-chlorophenyl)-[2-(methylthio)-4-oxido-6-oxo-1H-pyrimidin-5-yl]methyl]-2-(methylthio)-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 5-[(4-chlorophenyl)-(2-methylsulfanyl-4-oxido-6-oxo-1H-pyrimidin-5-yl)methyl]-2-methylsulfanyl-6-oxo-1H-pyrimidin-4-olate Traditional Name: 5-[(4-chlorophenyl)-[6-keto-2-(methylthio)-4-oxido-1H-pyrimidin-5-yl]methyl]-6-keto-2-(methylthio)-1H-pyrimidin-4-olate Formula: C17H13ClN4O4S2-2 MolecularWeight: 436.89252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN4O4S2/c1-27-16-19-12(23)10(13(24)20-16)9(7-3-5-8(18)6-4-7)11-14(25)21-17(28-2)22-15(11)26/h3-6,9H,1-2H3,(H2,19,20,23,24)(H2,21,22,25,26)/p-2