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

Systemtic Name: 2-[[5-(2-butylsulfanylethyl)-4-methyl-6-oxidanylidene-5H-pyrimidin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(2-butylsulfanylethyl)-4-methyl-6-oxo-5H-pyrimidin-2-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[2-(butylthio)ethyl]-4-methyl-6-oxo-5H-pyrimidin-2-yl]thio]acetic acid IUPAC Name: 2-[[5-(2-butylsulfanylethyl)-4-methyl-6-oxo-5H-pyrimidin-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[2-(butylthio)ethyl]-4-keto-6-methyl-5H-pyrimidin-2-yl]thio]acetic acid Formula: C13H20N2O3S2 MolecularWeight: 316.4395

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCC1C(=NC(=NC1=O)SCC(=O)O)C

Isomeric SMILES

CCCCSCCC1C(=NC(=NC1=O)SCC(=O)O)C

InChI

InChI=1S/C13H20N2O3S2/c1-3-4-6-19-7-5-10-9(2)14-13(15-12(10)18)20-8-11(16)17/h10H,3-8H2,1-2H3,(H,16,17)