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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC(C)C(=O)O

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC(C)C(=O)O

InChI

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