For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3-{[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanenitrile

Compound with spectra: 1 NMR

3-{[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanenitrile
SpectraBase Compound ID AZ4SiFGX7Ja
InChI InChI=1S/C17H16ClN5O2S/c1-21-14-13(15(24)22(2)17(21)25)23(16(20-14)26-9-5-8-19)10-11-6-3-4-7-12(11)18/h3-4,6-7H,5,9-10H2,1-2H3
InChIKey CIYTXQHHKSVQMW-UHFFFAOYSA-N
Mol Weight 389.86 g/mol
Molecular Formula C17H16ClN5O2S
Exact Mass 389.071324 g/mol

View Spectrum of 3-{[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanenitrile

1H NMR Spectrum
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
Solvent DMSO-d6
Pentanenitrile, 5-[[7-[(2-chlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-
acetic acid, [[7-[(2-chlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-
N-(tert-butyl)-2-{[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
1H-Purine-2,6-dione, 7-[(2-fluorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-8-(propylthio)-
2-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanamide
2-[1,3-dimethyl-7-(o-tolylmethyl)-2,6-dioxo-purin-8-yl]sulfanylacetic acid
Acetic acid, 2-[[2,3,6,7-tetrahydro-1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-1H-purin-8-yl]thio]-, ethyl ester
7-(2-fluorobenzyl)-1,3-dimethyl-8-{[2-(4-morpholinyl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-(2-methylbenzyl)-8-{[2-(4-morpholinyl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
2-[[7-(2-fluorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]-N-phenethyl-acetamide
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.