| SpectraBase Spectrum ID |
15DOLnBcxGK |
| Name |
1H-purine-2,6-dione, 7-[(3-chlorophenyl)methyl]-8-[[(4-fluorophenyl)methyl]thio]-3,7-dihydro-1,3-dimethyl- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.082302871 u |
| Formula |
C21H18ClFN4O2S |
| InChI |
InChI=1S/C21H18ClFN4O2S/c1-25-18-17(19(28)26(2)21(25)29)27(11-14-4-3-5-15(22)10-14)20(24-18)30-12-13-6-8-16(23)9-7-13/h3-10H,11-12H2,1-2H3 |
| InChIKey |
DWNJBASZMJOCHA-UHFFFAOYSA-N |
| Molecular Weight |
444.912 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_10322 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10241148; Lab Info: SAD; Lab Number: SAD-0001767 |
![7-(3-Chlorobenzyl)-8-[(4-fluorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/15DOLnBcxGK/structure.png?h=300&w=458 "7-(3-Chlorobenzyl)-8-[(4-fluorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione")
