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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)O

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)O

InChI

InChI=1S/C9H12N2O3S/c1-2-3-6-4-7(12)11-9(10-6)15-5-8(13)14/h4H,2-3,5H2,1H3,(H,13,14)(H,10,11,12)