2-[(4-methyl-6-oxidanylidene-5-pentyl-5H-pyrimidin-2-yl)sulfanyl]propanoic acid

Systemtic Name: 2-[(4-methyl-6-oxidanylidene-5-pentyl-5H-pyrimidin-2-yl)sulfanyl]propanoic acid Openeye Name: 2-[(4-methyl-6-oxo-5-pentyl-5H-pyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: 2-[(4-methyl-6-oxo-5-pentyl-5H-pyrimidin-2-yl)thio]propanoic acid IUPAC Name: 2-[(4-methyl-6-oxo-5-pentyl-5H-pyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: 2-[(5-amyl-4-keto-6-methyl-5H-pyrimidin-2-yl)thio]propionic acid Formula: C13H20N2O3S MolecularWeight: 284.3745

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(=NC(=NC1=O)SC(C)C(=O)O)C

Isomeric SMILES

CCCCCC1C(=NC(=NC1=O)SC(C)C(=O)O)C

InChI

InChI=1S/C13H20N2O3S/c1-4-5-6-7-10-8(2)14-13(15-11(10)16)19-9(3)12(17)18/h9-10H,4-7H2,1-3H3,(H,17,18)