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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SC)C(=O)NC2=CC=C(S2)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SC)C(=O)NC2=CC=C(S2)C(=O)O

InChI

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