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2-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-8-((4-fluorobenzyl)thio)-1H-purin-6(9H)-one

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2-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-8-((4-fluorobenzyl)thio)-1H-purin-6(9H)-one
SpectraBase Compound ID 2GyHwWrHGfi
InChI InChI=1S/C17H18FN5O5S/c18-8-3-1-7(2-4-8)6-29-17-20-10-13(21-16(19)22-14(10)27)23(17)15-12(26)11(25)9(5-24)28-15/h1-4,9,11-12,15,24-26H,5-6H2,(H3,19,21,22,27)
InChIKey WAASZWMCEBWCRC-UHFFFAOYSA-N
Mol Weight 423.42 g/mol
Molecular Formula C17H18FN5O5S
Exact Mass 423.101268 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GVsQjxSsGs5
Name 2-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-8-((4-fluorobenzyl)thio)-1H-purin-6(9H)-one
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C17H18FN5O5S/c18-8-3-1-7(2-4-8)6-29-17-20-10-13(21-16(19)22-14(10)27)23(17)15-12(26)11(25)9(5-24)28-15/h1-4,9,11-12,15,24-26H,5-6H2,(H3,19,21,22,27)
InChIKey WAASZWMCEBWCRC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22546
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D59945; Labnumber: LRP02-0180; SBI_ID: SBI-022550
Temperature 308 °C