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5-(3-bromo-4-isopropoxy-benzylidene)-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-quinone
SpectraBase Compound ID KUhR4pWkQMo
InChI InChI=1S/C16H17BrN2O3S/c1-9(2)22-13-6-5-10(8-12(13)17)7-11-14(20)18(3)16(23)19(4)15(11)21/h5-9H,1-4H3
InChIKey PKRBSYGQJGAXOY-UHFFFAOYSA-N
Mol Weight 397.29 g/mol
Molecular Formula C16H17BrN2O3S
Exact Mass 396.014327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 23k1yW5rmC9
Name 5-(3-bromo-4-isopropoxy-benzylidene)-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-quinone
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Formula C16H17BrN2O3S
InChI InChI=1S/C16H17BrN2O3S/c1-9(2)22-13-6-5-10(8-12(13)17)7-11-14(20)18(3)16(23)19(4)15(11)21/h5-9H,1-4H3
InChIKey PKRBSYGQJGAXOY-UHFFFAOYSA-N
Molecular Weight 397.287 g/mol
SMILES C(c1cc(c(cc1)OC(C)C)Br)=C1C(N(C(N(C1=O)C)=S)C)=O
SPLASH splash10-0kfy-7449000000-78a36f20667dedfd1254
Synonyms 5-[(3-bromanyl-4-propan-2-yloxy-phenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione 5-[(3-bromo-4-isopropoxy-phenyl)methylene]-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-dione 5-[(3-bromo-4-propan-2-yloxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Wiley ID 1444400