1,3-diethyl-6-oxidanylidene-2-(2-oxidanylpropan-2-ylsulfanyl)pyrimidin-3-ium-4-olate

Systemtic Name: 1,3-diethyl-6-oxidanylidene-2-(2-oxidanylpropan-2-ylsulfanyl)pyrimidin-3-ium-4-olate Openeye Name: 1,3-diethyl-2-(1-hydroxy-1-methyl-ethyl)sulfanyl-6-oxo-pyrimidin-3-ium-4-olate CAS Name: 1,3-diethyl-2-(2-hydroxypropan-2-ylthio)-6-oxo-4-pyrimidin-3-iumolate IUPAC Name: 1,3-diethyl-2-(2-hydroxypropan-2-ylsulfanyl)-6-oxopyrimidin-3-ium-4-olate Traditional Name: 1,3-diethyl-2-[(1-hydroxy-1-methyl-ethyl)thio]-6-keto-pyrimidin-3-ium-4-olate Formula: C11H18N2O3S MolecularWeight: 258.33722

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C=C([N+](=C1SC(C)(C)O)CC)[O-]

Isomeric SMILES

CCN1C(=O)C=C([N+](=C1SC(C)(C)O)CC)[O-]

InChI

InChI=1S/C11H18N2O3S/c1-5-12-8(14)7-9(15)13(6-2)10(12)17-11(3,4)16/h7,16H,5-6H2,1-4H3