5-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-3-methyl-thiophene-2-carboxylic acid

Systemtic Name: 5-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-3-methyl-thiophene-2-carboxylic acid Openeye Name: 5-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]-3-methyl-thiophene-2-carboxylic acid CAS Name: 5-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-3-methylthiophene-2-carboxylic acid Traditional Name: 5-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]-3-methyl-2-thenoic acid Formula: C12H10ClN3O3S2 MolecularWeight: 343.8091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C2=NC(=NC=C2Cl)SC)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C2=NC(=NC=C2Cl)SC)C(=O)O

InChI

InChI=1S/C12H10ClN3O3S2/c1-5-3-7(21-9(5)11(18)19)15-10(17)8-6(13)4-14-12(16-8)20-2/h3-4H,1-2H3,(H,15,17)(H,18,19)