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N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-hydroxy-6-propyl-2-pyrimidinyl)sulfanyl]acetamide
SpectraBase Compound ID 56V8k714dSR
InChI InChI=1S/C17H15F6N3O2S/c1-2-3-11-7-13(27)26-15(25-11)29-8-14(28)24-12-5-9(16(18,19)20)4-10(6-12)17(21,22)23/h4-7H,2-3,8H2,1H3,(H,24,28)(H,25,26,27)
InChIKey KVAAUHLKGZXVCM-UHFFFAOYSA-N
Mol Weight 439.38 g/mol
Molecular Formula C17H15F6N3O2S
Exact Mass 439.078917 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTru6f14lVT
Name N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-hydroxy-6-propyl-2-pyrimidinyl)sulfanyl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15F6N3O2S
InChI InChI=1S/C17H15F6N3O2S/c1-2-3-11-7-13(27)26-15(25-11)29-8-14(28)24-12-5-9(16(18,19)20)4-10(6-12)17(21,22)23/h4-7H,2-3,8H2,1H3,(H,24,28)(H,25,26,27)
InChIKey KVAAUHLKGZXVCM-UHFFFAOYSA-N
Molecular Weight 439.376 g/mol
SMILES N(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CSc1nc(cc(n1)CCC)O)=O
SPLASH splash10-06w9-4940000000-22dcac4e66cf72298c76
Synonyms N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetamide N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]acetamide
Wiley ID 1453046