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

Systemtic Name: 2-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoic acid Openeye Name: 2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoic acid CAS Name: 2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)thio]butanoic acid IUPAC Name: 2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoic acid Traditional Name: 2-[(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)thio]butyric acid Formula: C10H14N2O3S MolecularWeight: 242.29476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N2O3S/c1-4-7(9(14)15)16-10-11-6(3)5(2)8(13)12-10/h7H,4H2,1-3H3,(H,14,15)(H,11,12,13)