2-[[6-methyl-5-(2-methylpropyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[6-methyl-5-(2-methylpropyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: 2-[(5-isobutyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[[6-methyl-5-(2-methylpropyl)-4-oxo-1H-pyrimidin-2-yl]thio]acetate IUPAC Name: 2-[[6-methyl-5-(2-methylpropyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[(5-isobutyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetate Formula: C11H15N2O3S- MolecularWeight: 255.3134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=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-1