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acetamide, 2-[[7-(2-ethylhexyl)-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-N-[4-(trifluoromethoxy)phenyl]-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

acetamide, 2-[[7-(2-ethylhexyl)-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-N-[4-(trifluoromethoxy)phenyl]-
SpectraBase Compound ID JoRdPf7EF3A
InChI InChI=1S/C24H30F3N5O4S/c1-5-7-8-15(6-2)13-32-19-20(30(3)23(35)31(4)21(19)34)29-22(32)37-14-18(33)28-16-9-11-17(12-10-16)36-24(25,26)27/h9-12,15H,5-8,13-14H2,1-4H3,(H,28,33)
InChIKey ILXDSXKFVWMDID-UHFFFAOYSA-N
Mol Weight 541.59 g/mol
Molecular Formula C24H30F3N5O4S
Exact Mass 541.19706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7gfimzYwpt5
Name 2-[7-(2-ethylhexyl)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-[4-(trifluoromethyloxy)phenyl]ethanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30F3N5O4S
InChI InChI=1S/C24H30F3N5O4S/c1-5-7-8-15(6-2)13-32-19-20(30(3)23(35)31(4)21(19)34)29-22(32)37-14-18(33)28-16-9-11-17(12-10-16)36-24(25,26)27/h9-12,15H,5-8,13-14H2,1-4H3,(H,28,33)
InChIKey ILXDSXKFVWMDID-UHFFFAOYSA-N
Molecular Weight 541.590 g/mol
SMILES N(C(CSc1nc2c([n]1CC(CC)CCCC)C(=O)N(C(N2C)=O)C)=O)c1ccc(OC(F)(F)F)cc1
SPLASH splash10-002f-9670000000-9841cfbafda88a784bd3
Synonyms 2-[7-(2-ethylhexyl)-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[[7-(2-ethylhexyl)-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[[7-(2-ethylhexyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]-N-[4-(trifluoromethoxy)phenyl]acetamide
Wiley ID 1453883