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5-[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
SpectraBase Compound ID JPjnpVL918R
InChI InChI=1S/C22H22N2O5S/c1-3-27-19-13-15(12-17-20(25)23-22(30)24-21(17)26)6-9-18(19)29-11-10-28-16-7-4-14(2)5-8-16/h4-9,12-13H,3,10-11H2,1-2H3,(H2,23,24,25,26,30)
InChIKey OFUMYDRAEQSMQA-UHFFFAOYSA-N
Mol Weight 426.49 g/mol
Molecular Formula C22H22N2O5S
Exact Mass 426.124943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BtCqCrPAYnO
Name 5-[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
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Formula C22H22N2O5S
InChI InChI=1S/C22H22N2O5S/c1-3-27-19-13-15(12-17-20(25)23-22(30)24-21(17)26)6-9-18(19)29-11-10-28-16-7-4-14(2)5-8-16/h4-9,12-13H,3,10-11H2,1-2H3,(H2,23,24,25,26,30)
InChIKey OFUMYDRAEQSMQA-UHFFFAOYSA-N
Molecular Weight 426.487 g/mol
SMILES N1C(NC(C(C1=O)=Cc1cc(OCC)c(cc1)OCCOc1ccc(cc1)C)=O)=S
SPLASH splash10-002f-9620300000-e942ce3b08e8b0ce8224
Synonyms 5-[[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione 5-[[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Wiley ID 1436535