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

Systemtic Name: 4-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoic acid Openeye Name: 4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoic acid CAS Name: 4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]butanoic acid IUPAC Name: 4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoic acid Traditional Name: 4-[(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)SCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C9H12N2O3S/c1-6-5-7(12)11-9(10-6)15-4-2-3-8(13)14/h5H,2-4H2,1H3,(H,13,14)(H,10,11,12)