| SpectraBase Spectrum ID |
9b8GxgiMOh0 |
| Name |
1H-purine-2,6-dione, 1-[[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]methyl]-3,7-dihydro-3-methyl-7-(phenylmethyl)- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
445.132094052 u |
| Formula |
C22H19N7O2S |
| InChI |
InChI=1S/C22H19N7O2S/c1-27-18-17(28(13-24-18)11-14-5-3-2-4-6-14)20(30)29(22(27)31)12-15-7-9-16(10-8-15)19-25-26-21(23)32-19/h2-10,13H,11-12H2,1H3,(H2,23,26) |
| InChIKey |
KETBJVDEYRQMJJ-UHFFFAOYSA-N |
| Molecular Weight |
445.501 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_17625 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11240304; Lab Info: SAD; Lab Number: 4 |
![1H-purine-2,6-dione, 1-[[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]methyl]-3,7-dihydro-3-methyl-7-(phenylmethyl)-](/api/spectrum/9b8GxgiMOh0/structure.png?h=300&w=458 "1H-purine-2,6-dione, 1-[[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]methyl]-3,7-dihydro-3-methyl-7-(phenylmethyl)-")
