2-[4-methyl-5-(2-methylpropyl)-6-oxidanidyl-pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: 2-[4-methyl-5-(2-methylpropyl)-6-oxidanidyl-pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-(5-isobutyl-4-methyl-6-oxido-pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[[4-methyl-5-(2-methylpropyl)-6-oxido-2-pyrimidinyl]thio]acetate IUPAC Name: 2-[4-methyl-5-(2-methylpropyl)-6-oxidopyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[(5-isobutyl-4-methyl-6-oxido-pyrimidin-2-yl)thio]acetate Formula: C11H14N2O3S-2 MolecularWeight: 254.30546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC(=O)[O-])[O-])CC(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)[O-])[O-])CC(C)C

InChI

InChI=1S/C11H16N2O3S/c1-6(2)4-8-7(3)12-11(13-10(8)16)17-5-9(14)15/h6H,4-5H2,1-3H3,(H,14,15)(H,12,13,16)/p-2