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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)SC1=NC=CC(=O)N1

Isomeric SMILES

CC(C)C(C(=O)O)SC1=NC=CC(=O)N1

InChI

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