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

Systemtic Name: 2-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Openeye Name: 2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: 2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)thio]propanoic acid IUPAC Name: 2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: 2-[(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)SC(C)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C9H12N2O3S/c1-4-5(2)10-9(11-7(4)12)15-6(3)8(13)14/h6H,1-3H3,(H,13,14)(H,10,11,12)