3-[(6-methyl-4-methylsulfanyl-2-oxidanylidene-1H-pyrimidin-5-yl)carbonylamino]thiophene-2-carboxylic acid

Systemtic Name: 3-[(6-methyl-4-methylsulfanyl-2-oxidanylidene-1H-pyrimidin-5-yl)carbonylamino]thiophene-2-carboxylic acid Openeye Name: 3-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]thiophene-2-carboxylic acid CAS Name: 3-[[[6-methyl-4-(methylthio)-2-oxo-1H-pyrimidin-5-yl]-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]thiophene-2-carboxylic acid Traditional Name: 3-[[2-keto-6-methyl-4-(methylthio)-1H-pyrimidine-5-carbonyl]amino]-2-thenoic acid Formula: C12H11N3O4S2 MolecularWeight: 325.36344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SC)C(=O)NC2=C(SC=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SC)C(=O)NC2=C(SC=C2)C(=O)O

InChI

InChI=1S/C12H11N3O4S2/c1-5-7(10(20-2)15-12(19)13-5)9(16)14-6-3-4-21-8(6)11(17)18/h3-4H,1-2H3,(H,14,16)(H,17,18)(H,13,15,19)