Propanoic acid, 2,2-dimethyl-, [2-[2-(acetylthio)ethyl]-5-[6-(benzoylamino)-9H-purin-9-yl]tetrahydro-3-furanyl]methyl ester, (2.alph

SpectraBase Compound ID	7PCkep2tsfD
InChI	InChI=1S/C26H31N5O5S/c1-16(32)37-11-10-19-18(13-35-25(34)26(2,3)4)12-20(36-19)31-15-29-21-22(27-14-28-23(21)31)30-24(33)17-8-6-5-7-9-17/h5-9,14-15,18-20H,10-13H2,1-4H3,(H,27,28,30,33)/t18-,19-,20-/m1/s1
InChIKey	OUWGAUMKQARMQO-UHFFFAOYSA-N Google Search
Mol Weight	525.62 g/mol
Molecular Formula	C26H31N5O5S
Exact Mass	525.20459 g/mol

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SpectraBase Spectrum ID	LKJTXfgWzl2
Name	(2-[2-(Acetylsulfanyl)ethyl]-5-[6-(benzoylamino)-9H-purin-9-yl]tetrahydro-3-furanyl)methyl pivalate
CAS Registry Number	128435-63-2
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H31N5O5S
InChI	InChI=1S/C26H31N5O5S/c1-16(32)37-11-10-19-18(13-35-25(34)26(2,3)4)12-20(36-19)31-15-29-21-22(27-14-28-23(21)31)30-24(33)17-8-6-5-7-9-17/h5-9,14-15,18-20H,10-13H2,1-4H3,(H,27,28,30,33)/t18-,19-,20-/m1/s1
InChIKey	OUWGAUMKQARMQO-UHFFFAOYSA-N
Molecular Weight	525.624 g/mol
SMILES	N(c1ncnc2c1nc[n]2[C@]1(C[C@@]([C@](O1)(CCSC(=O)C)[H])(COC(=O)C(C)(C)C)[H])[H])C(=O)c1ccccc1
SPLASH	splash10-0a4i-9510000000-ed3f3a65c471fce569c7
Synonyms	Propanoic acid, 2,2-dimethyl-, [2-[2-(acetylthio)ethyl]-5-[N6-(benzoylamino)-9H-purin-9-yl]tetrahydro-3-furanyl]methyl ester, (2.alpha.,3.beta.,5.alpha.)-(.+-.)- [2-(2-acetylsulfanylethyl)-5-(6-benzamidopurin-9-yl)oxolan-3-yl]methyl 2,2-dimethylpropanoate [2-(2-acetylsulfanylethyl)-5-(6-benzamidopurin-9-yl)tetrahydrofuran-3-yl]methyl 2,2-dimethylpropanoate [5-(6-benzamidopurin-9-yl)-2-(2-ethanoylsulfanylethyl)oxolan-3-yl]methyl 2,2-dimethylpropanoate 2,2-Dimethylpropanoic acid [2-[2-(acetylthio)ethyl]-5-(6-benzamido-9-purinyl)-3-oxolanyl]methyl ester
Wiley ID	1486538