2-[[4-methyl-5-(3-methylbutyl)-6-oxidanylidene-5H-pyrimidin-2-yl]sulfanyl]propanoic acid

Systemtic Name: 2-[[4-methyl-5-(3-methylbutyl)-6-oxidanylidene-5H-pyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[(5-isopentyl-4-methyl-6-oxo-5H-pyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: 2-[[4-methyl-5-(3-methylbutyl)-6-oxo-5H-pyrimidin-2-yl]thio]propanoic acid IUPAC Name: 2-[[4-methyl-5-(3-methylbutyl)-6-oxo-5H-pyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: 2-[(5-isoamyl-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:

CC1=NC(=NC(=O)C1CCC(C)C)SC(C)C(=O)O

Isomeric SMILES

CC1=NC(=NC(=O)C1CCC(C)C)SC(C)C(=O)O

InChI

InChI=1S/C13H20N2O3S/c1-7(2)5-6-10-8(3)14-13(15-11(10)16)19-9(4)12(17)18/h7,9-10H,5-6H2,1-4H3,(H,17,18)