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

Systemtic Name: 3-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Openeye Name: 3-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: 3-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)thio]propanoic acid IUPAC Name: 3-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)thio]propionic acid Formula: C9H12N2O3S MolecularWeight: 228.26818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCCC(=O)O)C

Isomeric SMILES

CC1=C(NC(=NC1=O)SCCC(=O)O)C

InChI

InChI=1S/C9H12N2O3S/c1-5-6(2)10-9(11-8(5)14)15-4-3-7(12)13/h3-4H2,1-2H3,(H,12,13)(H,10,11,14)