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2-[(7-allyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(4-bromophenyl)acetamide
SpectraBase Compound ID BklXTT469g8
InChI InChI=1S/C18H18BrN5O3S/c1-4-9-24-14-15(22(2)18(27)23(3)16(14)26)21-17(24)28-10-13(25)20-12-7-5-11(19)6-8-12/h4-8H,1,9-10H2,2-3H3,(H,20,25)
InChIKey FFSKFJIHKWOBTJ-UHFFFAOYSA-N
Mol Weight 464.34 g/mol
Molecular Formula C18H18BrN5O3S
Exact Mass 463.031374 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5k3N7Rv1Vfh
Name 2-[(7-allyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(4-bromophenyl)acetamide
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/C18H18BrN5O3S/c1-4-9-24-14-15(22(2)18(27)23(3)16(14)26)21-17(24)28-10-13(25)20-12-7-5-11(19)6-8-12/h4-8H,1,9-10H2,2-3H3,(H,20,25)
InChIKey FFSKFJIHKWOBTJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6065
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: NMR/11242274; Labnumber: SAD-0002917; IOH_ID: IOH-006066