2-[[6-methyl-5-(3-methylbutyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[6-methyl-5-(3-methylbutyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: 2-[(5-isopentyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[[6-methyl-5-(3-methylbutyl)-4-oxo-1H-pyrimidin-2-yl]thio]acetate IUPAC Name: 2-[[6-methyl-5-(3-methylbutyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[(5-isoamyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetate Formula: C12H17N2O3S- MolecularWeight: 269.33998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O3S/c1-7(2)4-5-9-8(3)13-12(14-11(9)17)18-6-10(15)16/h7H,4-6H2,1-3H3,(H,15,16)(H,13,14,17)/p-1