| SpectraBase Spectrum ID |
4PzTIwlQT0I |
| Name |
1H-purine-2,6-dione, 7-[(3-chlorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-8-[(1-methyl-1H-imidazol-2-yl)thio]- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.082222683 u |
| Formula |
C18H17ClN6O2S |
| InChI |
InChI=1S/C18H17ClN6O2S/c1-22-8-7-20-16(22)28-17-21-14-13(15(26)24(3)18(27)23(14)2)25(17)10-11-5-4-6-12(19)9-11/h4-9H,10H2,1-3H3 |
| InChIKey |
AYJQIHWCYYWYKW-UHFFFAOYSA-N |
| Molecular Weight |
416.887 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_8411 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9322339; Lab Info: SAD; Lab Number: SAD-1001199 |
![7-(3-Chlorobenzyl)-1,3-dimethyl-8-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/4PzTIwlQT0I/structure.png?h=300&w=458 "7-(3-Chlorobenzyl)-1,3-dimethyl-8-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione")
