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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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