Acetamide, N-[2-(3,4-diethoxyphenyl)ethyl]-2-[[2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-7-[[3-(trifluoromethyl)phenyl]methyl]-1H-purin-8-yl]thio]-

SpectraBase Compound ID	2xCCqVqCGh6
InChI	InChI=1S/C29H32F3N5O5S/c1-5-41-21-11-10-18(15-22(21)42-6-2)12-13-33-23(38)17-43-27-34-25-24(26(39)36(4)28(40)35(25)3)37(27)16-19-8-7-9-20(14-19)29(30,31)32/h7-11,14-15H,5-6,12-13,16-17H2,1-4H3,(H,33,38)
InChIKey	CDMFIDXXMAXWSB-UHFFFAOYSA-N Google Search
Mol Weight	619.7 g/mol
Molecular Formula	C29H32F3N5O5S
Exact Mass	619.207625 g/mol

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SpectraBase Spectrum ID	3uAtvrMw6UR
Name	Acetamide, N-[2-(3,4-diethoxyphenyl)ethyl]-2-[[2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-7-[[3-(trifluoromethyl)phenyl]methyl]-1H-purin-8-yl]thio]-
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H32F3N5O5S
InChI	InChI=1S/C29H32F3N5O5S/c1-5-41-21-11-10-18(15-22(21)42-6-2)12-13-33-23(38)17-43-27-34-25-24(26(39)36(4)28(40)35(25)3)37(27)16-19-8-7-9-20(14-19)29(30,31)32/h7-11,14-15H,5-6,12-13,16-17H2,1-4H3,(H,33,38)
InChIKey	CDMFIDXXMAXWSB-UHFFFAOYSA-N
Molecular Weight	619.660 g/mol
SMILES	N(C(CSc1[n](Cc2cccc(c2)C(F)(F)F)c2C(=O)N(C(=O)N(C)c2n1)C)=O)CCc1cc(c(cc1)OCC)OCC
SPLASH	splash10-0006-1900000000-ab1c255f130dd2e8c78b
Source of Spectrum	IY-1-4584-2
Synonyms	N-[2-(3,4-diethoxyphenyl)ethyl]-2-[[1,3-dimethyl-2,6-dioxo-7-[[3-(trifluoromethyl)phenyl]methyl]-8-purinyl]thio]acetamide N-[2-(3,4-diethoxyphenyl)ethyl]-2-[1,3-dimethyl-2,6-dioxo-7-[[3-(trifluoromethyl)phenyl]methyl]purin-8-yl]sulfanylacetamide N-[2-(3,4-diethoxyphenyl)ethyl]-2-[1,3-dimethyl-2,6-dioxo-7-[[3-(trifluoromethyl)phenyl]methyl]purin-8-yl]sulfanyl-acetamide N-[2-(3,4-diethoxyphenyl)ethyl]-2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-[[3-(trifluoromethyl)phenyl]methyl]purin-8-yl]sulfanyl-ethanamide
Wiley ID	1653825