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

Systemtic Name: 2-[[4-methyl-5-[2-(2-methylpropylsulfanyl)ethyl]-6-oxidanylidene-5H-pyrimidin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(2-isobutylsulfanylethyl)-4-methyl-6-oxo-5H-pyrimidin-2-yl]sulfanyl]acetic acid CAS Name: 2-[[4-methyl-5-[2-(2-methylpropylthio)ethyl]-6-oxo-5H-pyrimidin-2-yl]thio]acetic acid IUPAC Name: 2-[[4-methyl-5-[2-(2-methylpropylsulfanyl)ethyl]-6-oxo-5H-pyrimidin-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[2-(isobutylthio)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:

CC1=NC(=NC(=O)C1CCSCC(C)C)SCC(=O)O

Isomeric SMILES

CC1=NC(=NC(=O)C1CCSCC(C)C)SCC(=O)O

InChI

InChI=1S/C13H20N2O3S2/c1-8(2)6-19-5-4-10-9(3)14-13(15-12(10)18)20-7-11(16)17/h8,10H,4-7H2,1-3H3,(H,16,17)