2-[(2,4-dimethyl-6-methylsulfanyl-pyrimidin-5-yl)carbonylamino]thiophene-3-carboxylic acid

Systemtic Name: 2-[(2,4-dimethyl-6-methylsulfanyl-pyrimidin-5-yl)carbonylamino]thiophene-3-carboxylic acid Openeye Name: 2-[(2,4-dimethyl-6-methylsulfanyl-pyrimidine-5-carbonyl)amino]thiophene-3-carboxylic acid CAS Name: 2-[[[2,4-dimethyl-6-(methylthio)-5-pyrimidinyl]-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]thiophene-3-carboxylic acid Traditional Name: 2-[[2,4-dimethyl-6-(methylthio)pyrimidine-5-carbonyl]amino]-3-thenoic acid Formula: C13H13N3O3S2 MolecularWeight: 323.39062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SC)C(=O)NC2=C(C=CS2)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SC)C(=O)NC2=C(C=CS2)C(=O)O

InChI

InChI=1S/C13H13N3O3S2/c1-6-9(12(20-3)15-7(2)14-6)10(17)16-11-8(13(18)19)4-5-21-11/h4-5H,1-3H3,(H,16,17)(H,18,19)