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

Systemtic Name: 2-[(5-ethoxycarbonyl-6-methyl-2-oxidanylidene-1H-pyrimidin-4-yl)sulfanyl]butanoic acid Openeye Name: 2-[(5-ethoxycarbonyl-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]butanoic acid CAS Name: 2-[(5-ethoxycarbonyl-6-methyl-2-oxo-1H-pyrimidin-4-yl)thio]butanoic acid IUPAC Name: 2-[(5-ethoxycarbonyl-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]butanoic acid Traditional Name: 2-[(5-carbethoxy-2-keto-6-methyl-1H-pyrimidin-4-yl)thio]butyric acid Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NC(=O)NC(=C1C(=O)OCC)C

Isomeric SMILES

CCC(C(=O)O)SC1=NC(=O)NC(=C1C(=O)OCC)C

InChI

InChI=1S/C12H16N2O5S/c1-4-7(10(15)16)20-9-8(11(17)19-5-2)6(3)13-12(18)14-9/h7H,4-5H2,1-3H3,(H,15,16)(H,13,14,18)