2-(4-methyl-6-oxidanidyl-5-pentyl-pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: 2-(4-methyl-6-oxidanidyl-5-pentyl-pyrimidin-2-yl)sulfanylethanoate Openeye Name: 2-(4-methyl-6-oxido-5-pentyl-pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4-methyl-6-oxido-5-pentyl-2-pyrimidinyl)thio]acetate IUPAC Name: 2-(4-methyl-6-oxido-5-pentylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(5-amyl-4-methyl-6-oxido-pyrimidin-2-yl)thio]acetate Formula: C12H16N2O3S-2 MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N=C(N=C1[O-])SCC(=O)[O-])C

Isomeric SMILES

CCCCCC1=C(N=C(N=C1[O-])SCC(=O)[O-])C

InChI

InChI=1S/C12H18N2O3S/c1-3-4-5-6-9-8(2)13-12(14-11(9)17)18-7-10(15)16/h3-7H2,1-2H3,(H,15,16)(H,13,14,17)/p-2