| SpectraBase Spectrum ID |
FZX97mhV3kg |
| Name |
1H-purine-2,6-dione, 8-[[[4-amino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]methyl]thio]-7-[[4-(1,1-dimethylethyl)phenyl]methyl]-3,7-dihydro-1,3- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
549.263442575 u |
| Formula |
C27H35N9O2S |
| InChI |
InChI=1S/C27H35N9O2S/c1-27(2,3)18-11-9-17(10-12-18)15-36-20-21(33(4)26(38)34(5)22(20)37)31-25(36)39-16-19-29-23(28)32-24(30-19)35-13-7-6-8-14-35/h9-12H,6-8,13-16H2,1-5H3,(H2,28,29,30,32) |
| InChIKey |
AUUDMGKJGXITBW-UHFFFAOYSA-N |
| Molecular Weight |
549.698 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_16148 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10320221; Lab Info: SAD; Lab Number: 2 |
![1H-purine-2,6-dione, 8-[[[4-amino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]methyl]thio]-7-[[4-(1,1-dimethylethyl)phenyl]methyl]-3,7-dihydro-1,3-](/api/spectrum/FZX97mhV3kg/structure.png?h=300&w=458 "1H-purine-2,6-dione, 8-[[[4-amino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]methyl]thio]-7-[[4-(1,1-dimethylethyl)phenyl]methyl]-3,7-dihydro-1,3-")
