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2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
SpectraBase Compound ID 3rnQpwJsZ6M
InChI InChI=1S/C22H20FN5O3S/c1-26-19-18(20(30)27(2)22(26)31)28(12-14-6-4-3-5-7-14)21(25-19)32-13-17(29)24-16-10-8-15(23)9-11-16/h3-11H,12-13H2,1-2H3,(H,24,29)
InChIKey HLOXXJUVDHNOPP-UHFFFAOYSA-N
Mol Weight 453.49 g/mol
Molecular Formula C22H20FN5O3S
Exact Mass 453.127089 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E4UP3OZTmnW
Name 2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.127088858 u
Formula C22H20FN5O3S
InChI InChI=1S/C22H20FN5O3S/c1-26-19-18(20(30)27(2)22(26)31)28(12-14-6-4-3-5-7-14)21(25-19)32-13-17(29)24-16-10-8-15(23)9-11-16/h3-11H,12-13H2,1-2H3,(H,24,29)
InChIKey HLOXXJUVDHNOPP-UHFFFAOYSA-N
Molecular Weight 453.492 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_8762
Solvent DMSO-d6
Source Vendor ID: NMR/13228039