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5-[3-methoxy-4-[2-(p-tolylthio)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
SpectraBase Compound ID BqSZ2eljLRq
InChI InChI=1S/C21H20N2O4S2/c1-13-3-6-15(7-4-13)29-10-9-27-17-8-5-14(12-18(17)26-2)11-16-19(24)22-21(28)23-20(16)25/h3-8,11-12H,9-10H2,1-2H3,(H2,22,23,24,25,28)
InChIKey FKTKOTMIFRKSAK-UHFFFAOYSA-N
Mol Weight 428.52 g/mol
Molecular Formula C21H20N2O4S2
Exact Mass 428.086449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BFjcKuhpdfz
Name 5-[3-methoxy-4-[2-(p-tolylthio)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N2O4S2
InChI InChI=1S/C21H20N2O4S2/c1-13-3-6-15(7-4-13)29-10-9-27-17-8-5-14(12-18(17)26-2)11-16-19(24)22-21(28)23-20(16)25/h3-8,11-12H,9-10H2,1-2H3,(H2,22,23,24,25,28)
InChIKey FKTKOTMIFRKSAK-UHFFFAOYSA-N
Molecular Weight 428.521 g/mol
SMILES N1C(NC(C(C1=O)=Cc1cc(OC)c(cc1)OCCSc1ccc(cc1)C)=O)=S
SPLASH splash10-0uk9-2900000000-36637dc2f9e825bcf100
Synonyms 5-[[3-methoxy-4-[2-(4-methylphenyl)sulfanylethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione 5-[[3-methoxy-4-[2-(p-tolylsulfanyl)ethoxy]phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione 5-[[3-methoxy-4-[2-[(4-methylphenyl)thio]ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Wiley ID 1437178