| SpectraBase Spectrum ID |
2Yf6A4OxODX |
| Name |
7-(3-chlorobenzyl)-1,3-dimethyl-8-{[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione |
| 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/C20H20ClN7O4S/c1-12-22-10-15(28(31)32)26(12)7-8-33-19-23-17-16(18(29)25(3)20(30)24(17)2)27(19)11-13-5-4-6-14(21)9-13/h4-6,9-10H,7-8,11H2,1-3H3 |
| InChIKey |
CCZHKDVPROXTRE-UHFFFAOYSA-N |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Origin |
1H_ASIOH_7000_4939 |
| 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/10311044; Labnumber: SAD-002520; IOH_ID: IOH-004940 |
![7-(3-chlorobenzyl)-1,3-dimethyl-8-{[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/2Yf6A4OxODX/structure.png?h=300&w=458 "7-(3-chlorobenzyl)-1,3-dimethyl-8-{[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione")
