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

Systemtic Name: 3-[(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Openeye Name: 3-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: 3-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]propanoic acid IUPAC Name: 3-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]propionic acid Formula: C9H12N2O3S MolecularWeight: 228.26818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)SCCC(=O)O

Isomeric SMILES

CCC1=CC(=O)N=C(N1)SCCC(=O)O

InChI

InChI=1S/C9H12N2O3S/c1-2-6-5-7(12)11-9(10-6)15-4-3-8(13)14/h5H,2-4H2,1H3,(H,13,14)(H,10,11,12)