2-[(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetic acid CAS Name: 2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]acetic acid IUPAC Name: 2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetic acid Formula: C9H12N2O3S MolecularWeight: 228.26818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC(=O)O)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC(=O)O)C

InChI

InChI=1S/C9H12N2O3S/c1-3-6-5(2)10-9(11-8(6)14)15-4-7(12)13/h3-4H2,1-2H3,(H,12,13)(H,10,11,14)