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

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

acetamide, 2-[[7-[[4-(1,1-dimethylethyl)phenyl]methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-N-[4-
SpectraBase Compound ID 5Xjh745ntUw
InChI InChI=1S/C27H28F3N5O4S/c1-26(2,3)17-8-6-16(7-9-17)14-35-21-22(33(4)25(38)34(5)23(21)37)32-24(35)40-15-20(36)31-18-10-12-19(13-11-18)39-27(28,29)30/h6-13H,14-15H2,1-5H3,(H,31,36)
InChIKey HESGQBJTSYQBPN-UHFFFAOYSA-N
Mol Weight 575.61 g/mol
Molecular Formula C27H28F3N5O4S
Exact Mass 575.18141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9cS9fzUzs0N
Name 2-[7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-[4-(trifluoromethyloxy)phenyl]ethanamide
Alternate Name(s) 2-[7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[[7-(4-tert-butylbenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[[7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]-N-[4-(trifluoromethoxy)phenyl]acetamide
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Formula C27H28F3N5O4S
InChI InChI=1S/C27H28F3N5O4S/c1-26(2,3)17-8-6-16(7-9-17)14-35-21-22(33(4)25(38)34(5)23(21)37)32-24(35)40-15-20(36)31-18-10-12-19(13-11-18)39-27(28,29)30/h6-13H,14-15H2,1-5H3,(H,31,36)
InChIKey HESGQBJTSYQBPN-UHFFFAOYSA-N
Molecular Weight 575.607 g/mol
SMILES N(C(CSc1nc2c([n]1Cc1ccc(C(C)(C)C)cc1)C(=O)N(C(N2C)=O)C)=O)c1ccc(OC(F)(F)F)cc1
SPLASH splash10-0002-2900010000-12c0d35bfaf4cd8e638d
Wiley ID 1464237