3-[(5-hexyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(5-hexyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Openeye Name: 3-[(5-hexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: 3-[(5-hexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]propanoic acid IUPAC Name: 3-[(5-hexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(5-hexyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]propionic acid Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N=C(NC1=O)SCCC(=O)O)O

Isomeric SMILES

CCCCCCC1=C(N=C(NC1=O)SCCC(=O)O)O

InChI

InChI=1S/C13H20N2O4S/c1-2-3-4-5-6-9-11(18)14-13(15-12(9)19)20-8-7-10(16)17/h2-8H2,1H3,(H,16,17)(H2,14,15,18,19)