3-[(4-oxidanyl-6-oxidanylidene-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(4-oxidanyl-6-oxidanylidene-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Openeye Name: 3-[(4-hydroxy-5-isopropyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: 3-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)thio]propanoic acid IUPAC Name: 3-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(4-hydroxy-5-isopropyl-6-keto-1H-pyrimidin-2-yl)thio]propionic acid Formula: C10H14N2O4S MolecularWeight: 258.29416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N=C(NC1=O)SCCC(=O)O)O

Isomeric SMILES

CC(C)C1=C(N=C(NC1=O)SCCC(=O)O)O

InChI

InChI=1S/C10H14N2O4S/c1-5(2)7-8(15)11-10(12-9(7)16)17-4-3-6(13)14/h5H,3-4H2,1-2H3,(H,13,14)(H2,11,12,15,16)