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5-[3-bromo-5-methoxy-4-[2-(4-sec-butylphenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
SpectraBase Compound ID 5fzcXKWIcbZ
InChI InChI=1S/C24H25BrN2O5S/c1-4-14(2)16-5-7-17(8-6-16)31-9-10-32-21-19(25)12-15(13-20(21)30-3)11-18-22(28)26-24(33)27-23(18)29/h5-8,11-14H,4,9-10H2,1-3H3,(H2,26,27,28,29,33)
InChIKey XXNLWEHLIIGWOC-UHFFFAOYSA-N
Mol Weight 533.44 g/mol
Molecular Formula C24H25BrN2O5S
Exact Mass 532.066756 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HkabWG8ce4S
Name 5-[3-bromo-5-methoxy-4-[2-(4-sec-butylphenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25BrN2O5S
InChI InChI=1S/C24H25BrN2O5S/c1-4-14(2)16-5-7-17(8-6-16)31-9-10-32-21-19(25)12-15(13-20(21)30-3)11-18-22(28)26-24(33)27-23(18)29/h5-8,11-14H,4,9-10H2,1-3H3,(H2,26,27,28,29,33)
InChIKey XXNLWEHLIIGWOC-UHFFFAOYSA-N
Molecular Weight 533.437 g/mol
SMILES N1C(NC(C(C1=O)=Cc1cc(Br)c(c(c1)OC)OCCOc1ccc(cc1)C(CC)C)=O)=S
SPLASH splash10-001i-2420090000-5621fb4221f25cdb4b4e
Synonyms 5-[[3-bromanyl-4-[2-(4-butan-2-ylphenoxy)ethoxy]-5-methoxy-phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione 5-[[3-bromo-4-[2-(4-butan-2-ylphenoxy)ethoxy]-5-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione 5-[[3-bromo-5-methoxy-4-[2-(4-sec-butylphenoxy)ethoxy]phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione
Wiley ID 1436556