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2-[(4-Methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID 5BQJDEZIOSd
InChI InChI=1S/C14H12F3N3O2S/c1-8-5-11(21)20-13(18-8)23-7-12(22)19-10-4-2-3-9(6-10)14(15,16)17/h2-6H,7H2,1H3,(H,19,22)(H,18,20,21)
InChIKey NCGWOFLXLOXRBA-UHFFFAOYSA-N
Mol Weight 343.32 g/mol
Molecular Formula C14H12F3N3O2S
Exact Mass 343.060232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1JYeXFkLsu
Name 2-[(4-Methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CAS Registry Number 307325-79-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12F3N3O2S
InChI InChI=1S/C14H12F3N3O2S/c1-8-5-11(21)20-13(18-8)23-7-12(22)19-10-4-2-3-9(6-10)14(15,16)17/h2-6H,7H2,1H3,(H,19,22)(H,18,20,21)
InChIKey NCGWOFLXLOXRBA-UHFFFAOYSA-N
Molecular Weight 343.324 g/mol
SMILES N(C(CSC=1NC(C=C(N1)C)=O)=O)c1cc(C(F)(F)F)ccc1
SPLASH splash10-0bu0-4900000000-aeac3fcf65d5f2173c4a
Source of Spectrum AD-0-2532-0
Synonyms 2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide 2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]ethanamide 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide Acetamide, N-(3-trifluoromethylphenyl)-2-(3,4-dihydro-6-methyl-4-oxo-2-pyrimidylthio)-
Wiley ID 1432089