6-methyl-5-[2-(2-methylpropoxy)-2-oxidanylidene-ethyl]-2-prop-2-enylsulfanyl-pyrimidin-4-olate

Systemtic Name: 6-methyl-5-[2-(2-methylpropoxy)-2-oxidanylidene-ethyl]-2-prop-2-enylsulfanyl-pyrimidin-4-olate Openeye Name: 2-allylsulfanyl-5-(2-isobutoxy-2-oxo-ethyl)-6-methyl-pyrimidin-4-olate CAS Name: 6-methyl-5-[2-(2-methylpropoxy)-2-oxoethyl]-2-(prop-2-enylthio)-4-pyrimidinolate IUPAC Name: 6-methyl-5-[2-(2-methylpropoxy)-2-oxoethyl]-2-prop-2-enylsulfanylpyrimidin-4-olate Traditional Name: 2-(allylthio)-5-(2-isobutoxy-2-keto-ethyl)-6-methyl-pyrimidin-4-olate Formula: C14H19N2O3S- MolecularWeight: 295.37726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-5-6-20-14-15-10(4)11(13(18)16-14)7-12(17)19-8-9(2)3/h5,9H,1,6-8H2,2-4H3,(H,15,16,18)/p-1