5-[2-(4,6-dimethyl-2-oxidanylidene-1H-pyrimidin-5-yl)ethanoylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-[2-(4,6-dimethyl-2-oxidanylidene-1H-pyrimidin-5-yl)ethanoylamino]thiophene-2-carboxylic acid Openeye Name: 5-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]thiophene-2-carboxylic acid CAS Name: 5-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-1-oxoethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]thiophene-2-carboxylic acid Traditional Name: 5-[[2-(2-keto-4,6-dimethyl-1H-pyrimidin-5-yl)acetyl]amino]-2-thenoic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4S/c1-6-8(7(2)15-13(20)14-6)5-10(17)16-11-4-3-9(21-11)12(18)19/h3-4H,5H2,1-2H3,(H,16,17)(H,18,19)(H,14,15,20)