4-[(5-ethylthiophen-2-yl)methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(5-ethylthiophen-2-yl)methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-[(5-ethyl-2-thienyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-[(5-ethyl-2-thiophenyl)methylthio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-[(5-ethylthiophen-2-yl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-[(5-ethyl-2-thienyl)methylthio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C13H14N2O3S2 MolecularWeight: 310.39186

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)CSC2=NC(=O)NC(=C2C(=O)O)C

Isomeric SMILES

CCC1=CC=C(S1)CSC2=NC(=O)NC(=C2C(=O)O)C

InChI

InChI=1S/C13H14N2O3S2/c1-3-8-4-5-9(20-8)6-19-11-10(12(16)17)7(2)14-13(18)15-11/h4-5H,3,6H2,1-2H3,(H,16,17)(H,14,15,18)