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2-(Methylsulfanyl)ethyl 6-methyl-2-oxo-4-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID 5oCVUizC0Fp
InChI InChI=1S/C16H17F3N2O4S/c1-9-12(14(22)24-7-8-26-2)13(21-15(23)20-9)10-3-5-11(6-4-10)25-16(17,18)19/h3-6,13H,7-8H2,1-2H3,(H2,20,21,23)
InChIKey YETPPAZPISDNHG-UHFFFAOYSA-N
Mol Weight 390.38 g/mol
Molecular Formula C16H17F3N2O4S
Exact Mass 390.086113 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GxTAyrREdrw
Name 2-(Methylsulfanyl)ethyl 6-methyl-2-oxo-4-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
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Formula C16H17F3N2O4S
InChI InChI=1S/C16H17F3N2O4S/c1-9-12(14(22)24-7-8-26-2)13(21-15(23)20-9)10-3-5-11(6-4-10)25-16(17,18)19/h3-6,13H,7-8H2,1-2H3,(H2,20,21,23)
InChIKey YETPPAZPISDNHG-UHFFFAOYSA-N
Molecular Weight 390.377 g/mol
SMILES N1C(NC(C(=C1C)C(=O)OCCSC)c1ccc(OC(F)(F)F)cc1)=O
SPLASH splash10-004i-9110000000-554d404e8280eac190bb
Synonyms 2-keto-6-methyl-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(methylthio)ethyl ester 2-Methylsulfanylethyl 6-methyl-2-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate 2-Methylsulfanylethyl 6-methyl-2-oxo-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate 6-Methyl-2-oxo-4-(4-trifluoromethoxy-phenyl)-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid 2-methylsulfanyl-ethyl ester 6-Methyl-2-oxo-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(methylthio)ethyl ester
Wiley ID 1462862