1,3-diethyl-6-oxidanyl-2-(2-oxidanylpropan-2-ylsulfanyl)pyrimidin-1-ium-4-one

Systemtic Name: 1,3-diethyl-6-oxidanyl-2-(2-oxidanylpropan-2-ylsulfanyl)pyrimidin-1-ium-4-one Openeye Name: 1,3-diethyl-6-hydroxy-2-(1-hydroxy-1-methyl-ethyl)sulfanyl-pyrimidin-1-ium-4-one CAS Name: 1,3-diethyl-6-hydroxy-2-(2-hydroxypropan-2-ylthio)-4-pyrimidin-1-iumone IUPAC Name: 1,3-diethyl-6-hydroxy-2-(2-hydroxypropan-2-ylsulfanyl)pyrimidin-1-ium-4-one Traditional Name: 1,3-diethyl-6-hydroxy-2-[(1-hydroxy-1-methyl-ethyl)thio]pyrimidin-1-ium-4-one Formula: C11H19N2O3S+ MolecularWeight: 259.34516

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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/p+1