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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(N=C(NC1=O)SCC(=O)O)O

Isomeric SMILES

CCCCCCCC1=C(N=C(NC1=O)SCC(=O)O)O

InChI

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