3-(4-methylsulfanyl-2-sulfanyl-phenyl)-2,4-bis(oxidanylidene)-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 3-(4-methylsulfanyl-2-sulfanyl-phenyl)-2,4-bis(oxidanylidene)-1H-pyrimidine-5-carboxylic acid Openeye Name: 3-(4-methylsulfanyl-2-sulfanyl-phenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid CAS Name: 3-[2-mercapto-4-(methylthio)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 3-(4-methylsulfanyl-2-sulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 2,4-diketo-3-[2-mercapto-4-(methylthio)phenyl]-1H-pyrimidine-5-carboxylic acid Formula: C12H10N2O4S2 MolecularWeight: 310.3488

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)N2C(=O)C(=CNC2=O)C(=O)O)S

Isomeric SMILES

CSC1=CC(=C(C=C1)N2C(=O)C(=CNC2=O)C(=O)O)S

InChI

InChI=1S/C12H10N2O4S2/c1-20-6-2-3-8(9(19)4-6)14-10(15)7(11(16)17)5-13-12(14)18/h2-5,19H,1H3,(H,13,18)(H,16,17)