(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[(E)-2-(4-methylphenyl)sulfonylethenyl]oxolane-3,4-diol

SpectraBase Compound ID	LPgz25wvRx
InChI	InChI=1S/C18H19N5O5S/c1-10-2-4-11(5-3-10)29(26,27)7-6-12-14(24)15(25)18(28-12)23-9-22-13-16(19)20-8-21-17(13)23/h2-9,12,14-15,18,24-25H,1H3,(H2,19,20,21)/b7-6+/t12-,14-,15-,18-/m1/s1
InChIKey	FIZCAYKMVNIDRH-DWIMDKOCSA-N Google Search
Mol Weight	417.44 g/mol
Molecular Formula	C18H19N5O5S
Exact Mass	417.11069 g/mol

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SpectraBase Spectrum ID	CW3mf3xFG2k
Name	(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[(E)-2-(4-methylphenyl)sulfonylethenyl]oxolane-3,4-diol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H19N5O5S
InChI	InChI=1S/C18H19N5O5S/c1-10-2-4-11(5-3-10)29(26,27)7-6-12-14(24)15(25)18(28-12)23-9-22-13-16(19)20-8-21-17(13)23/h2-9,12,14-15,18,24-25H,1H3,(H2,19,20,21)/b7-6+/t12-,14-,15-,18-/m1/s1
InChIKey	FIZCAYKMVNIDRH-DWIMDKOCSA-N
Molecular Weight	417.440 g/mol
SMILES	O[C@@]1([C@](O[C@]([C@@]1(O)[H])([n]1c2c(c(N)ncn2)nc1)[H])(\C=C\S(c1ccc(cc1)C)(=O)=O)[H])[H]
SPLASH	splash10-000i-0900000000-f44086444ffcfb0929f4
Source of Spectrum	I-69-337-5
Synonyms	(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[(E)-2-(p-tolylsulfonyl)vinyl]tetrahydrofuran-3,4-diol (2R,3R,4S,5R)-2-adenin-9-yl-5-[(E)-2-tosylvinyl]tetrahydrofuran-3,4-diol
Wiley ID	1376772