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

Systemtic Name: 2-[(5-ethoxycarbonyl-6-methyl-2-oxidanylidene-1H-pyrimidin-4-yl)sulfanyl]hexanoic acid Openeye Name: 2-[(5-ethoxycarbonyl-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]hexanoic acid CAS Name: 2-[(5-ethoxycarbonyl-6-methyl-2-oxo-1H-pyrimidin-4-yl)thio]hexanoic acid IUPAC Name: 2-[(5-ethoxycarbonyl-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]hexanoic acid Traditional Name: 2-[(5-carbethoxy-2-keto-6-methyl-1H-pyrimidin-4-yl)thio]hexanoic acid Formula: C14H20N2O5S MolecularWeight: 328.384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O5S/c1-4-6-7-9(12(17)18)22-11-10(13(19)21-5-2)8(3)15-14(20)16-11/h9H,4-7H2,1-3H3,(H,17,18)(H,15,16,20)