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5-(2-Sulfanylbenzoyl)-2-(morpholin-4-yl)-4-(trifluoromethyl)pyrimidine
SpectraBase Compound ID G50wgWUrJSw
InChI InChI=1S/C16H14F3N3O2S/c17-16(18,19)14-11(13(23)10-3-1-2-4-12(10)25)9-20-15(21-14)22-5-7-24-8-6-22/h1-4,9,25H,5-8H2
InChIKey MLHTVERELSBDSK-UHFFFAOYSA-N
Mol Weight 369.36 g/mol
Molecular Formula C16H14F3N3O2S
Exact Mass 369.075882 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IkTQbkJo22r
Name 5-(2-Sulfanylbenzoyl)-2-(morpholin-4-yl)-4-(trifluoromethyl)pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14F3N3O2S
InChI InChI=1S/C16H14F3N3O2S/c17-16(18,19)14-11(13(23)10-3-1-2-4-12(10)25)9-20-15(21-14)22-5-7-24-8-6-22/h1-4,9,25H,5-8H2
InChIKey MLHTVERELSBDSK-UHFFFAOYSA-N
Molecular Weight 369.362 g/mol
SMILES Sc1c(C(c2c(nc(nc2)N2CCOCC2)C(F)(F)F)=O)cccc1
SPLASH splash10-0uxr-0319000000-a6a2baffba8c51a3b7d8
Source of Spectrum F4-41-3239-8d
Synonyms (2-mercaptophenyl)-[2-(4-morpholinyl)-4-(trifluoromethyl)-5-pyrimidinyl]methanone [2-morpholino-4-(trifluoromethyl)pyrimidin-5-yl]-(2-sulfanylphenyl)methanone [2-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-5-yl]-(2-sulfanylphenyl)methanone
Wiley ID 1672826