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2-[7-[(3-Chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoic acid

Compound with spectra: 2 NMR, and 1 MS (GC)

2-[7-[(3-Chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoic acid
SpectraBase Compound ID Ft74s9Jxd9Z
InChI InChI=1S/C16H15ClN4O4S/c1-19-13-12(14(24)20(2)16(19)25)21(15(18-13)26-8-11(22)23)7-9-4-3-5-10(17)6-9/h3-6H,7-8H2,1-2H3,(H,22,23)
InChIKey MSEIJQOZCQQWDD-UHFFFAOYSA-N
Mol Weight 394.83 g/mol
Molecular Formula C16H15ClN4O4S
Exact Mass 394.050254 g/mol

View Spectrum of 2-[7-[(3-Chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoic acid

13C NMR Spectrum
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View Spectrum of 2-[7-[(3-Chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoic acid

1H NMR Spectrum
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Solvent DMSO-d6

View Spectrum of 2-[7-[(3-Chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoic acid

MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
  • acetic acid, [[7-[(3-chlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-
  • 2-[[7-(3-chlorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]acetic acid
  • 2-[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanylacetic acid
  • 2-[[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]acetic acid
2-[7-[(3-Chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanamide
N-(tert-butyl)-2-{[7-(3-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
({1,3-dimethyl-2,6-dioxo-7-[3-(trifluoromethyl)benzyl]-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid
{[7-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetic acid
4-{[7-(3-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}butanenitrile
2-[7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoic acid
7-(3-Chlorobenzyl)-8-[(4-fluorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Acetamide, N-cyclopentyl-2-[[2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-7-[[3-(trifluoromethyl)phenyl]methyl]-1H-purin-8-yl]thio]-
2-(7-benzyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-(4-fluorophenyl)acetamide
4-({7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanenitrile
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