| SpectraBase Spectrum ID |
Alz7WDzQsms |
| Name |
1H-purine-2,6-dione, 7-[(3,4-dichlorophenyl)methyl]-8-[[(2-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 |
478.043330538 u |
| Formula |
C21H17Cl2FN4O2S |
| InChI |
InChI=1S/C21H17Cl2FN4O2S/c1-26-18-17(19(29)27(2)21(26)30)28(10-12-7-8-14(22)15(23)9-12)20(25-18)31-11-13-5-3-4-6-16(13)24/h3-9H,10-11H2,1-2H3 |
| InChIKey |
IMKHNPOVLREFSH-UHFFFAOYSA-N |
| Molecular Weight |
479.357 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_8413 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9322341; Lab Info: SAD; Lab Number: SAD-1001201 |
![7-(3,4-Dichlorobenzyl)-8-[(2-fluorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/Alz7WDzQsms/structure.png?h=300&w=458 "7-(3,4-Dichlorobenzyl)-8-[(2-fluorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione")
