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5-[5-bromo-2-[2-(4-methylphenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
SpectraBase Compound ID 7Qv14RcTPzw
InChI InChI=1S/C20H17BrN2O4S/c1-12-2-5-15(6-3-12)26-8-9-27-17-7-4-14(21)10-13(17)11-16-18(24)22-20(28)23-19(16)25/h2-7,10-11H,8-9H2,1H3,(H2,22,23,24,25,28)
InChIKey OAYQXMVPNHUDRR-UHFFFAOYSA-N
Mol Weight 461.33 g/mol
Molecular Formula C20H17BrN2O4S
Exact Mass 460.009241 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9SiohOJqLd2
Name 5-[5-bromo-2-[2-(4-methylphenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
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Formula C20H17BrN2O4S
InChI InChI=1S/C20H17BrN2O4S/c1-12-2-5-15(6-3-12)26-8-9-27-17-7-4-14(21)10-13(17)11-16-18(24)22-20(28)23-19(16)25/h2-7,10-11H,8-9H2,1H3,(H2,22,23,24,25,28)
InChIKey OAYQXMVPNHUDRR-UHFFFAOYSA-N
Molecular Weight 461.330 g/mol
SMILES N1C(NC(C(C1=O)=Cc1c(ccc(c1)Br)OCCOc1ccc(cc1)C)=O)=S
SPLASH splash10-08fr-7714900000-3343bbc18cb1b3cd9bf4
Synonyms 5-[[5-bromanyl-2-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione 5-[[5-bromo-2-[2-(4-methylphenoxy)ethoxy]phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione 5-[[5-bromo-2-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Wiley ID 1437174