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5-[3-chloro-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
SpectraBase Compound ID 9fQQch6qert
InChI InChI=1S/C21H19ClN2O5S/c1-12-5-3-4-6-16(12)28-7-8-29-18-15(22)10-13(11-17(18)27-2)9-14-19(25)23-21(30)24-20(14)26/h3-6,9-11H,7-8H2,1-2H3,(H2,23,24,25,26,30)
InChIKey LIYRCAJHMWBHHS-UHFFFAOYSA-N
Mol Weight 446.91 g/mol
Molecular Formula C21H19ClN2O5S
Exact Mass 446.070321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9gwLrWIttNU
Name 5-[3-chloro-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19ClN2O5S
InChI InChI=1S/C21H19ClN2O5S/c1-12-5-3-4-6-16(12)28-7-8-29-18-15(22)10-13(11-17(18)27-2)9-14-19(25)23-21(30)24-20(14)26/h3-6,9-11H,7-8H2,1-2H3,(H2,23,24,25,26,30)
InChIKey LIYRCAJHMWBHHS-UHFFFAOYSA-N
Molecular Weight 446.905 g/mol
SMILES N1C(NC(C(C1=O)=Cc1cc(Cl)c(c(c1)OC)OCCOc1c(C)cccc1)=O)=S
SPLASH splash10-000e-6902500000-837a4931a9b03fe1e98a
Synonyms 5-[[3-chloranyl-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione 5-[[3-chloro-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione 5-[[3-chloro-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Wiley ID 1436588