| SpectraBase Spectrum ID |
I8RKRANLPwm |
| Name |
2-Chloro-6-benzylamino-9-[1-(pentafluorobenzyl)-1H-1,2,3-triazol-4-yl-methyl]purine |
| Appearance |
Off white solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H14ClF5N8 |
| InChI |
InChI=1S/C22H14ClF5N8/c23-22-31-20(29-6-11-4-2-1-3-5-11)19-21(32-22)35(10-30-19)7-12-8-36(34-33-12)9-13-14(24)16(26)18(28)17(27)15(13)25/h1-5,8,10H,6-7,9H2,(H,29,31,32) |
| InChIKey |
JVRUYDSFAQOGBM-UHFFFAOYSA-N |
| Instrument Name |
Hewlett Packard HPs 5890 GCMS |
| Ionization Type |
EI |
| Molecular Weight |
520.855 g/mol |
| SMILES |
N(c1c2c(nc(n1)Cl)[n](Cc1c[n](Cc3c(F)c(F)c(F)c(F)c3F)nn1)cn2)Cc1ccccc1 |
| SPLASH |
splash10-0a5c-6940020000-3834cc8344d4ec0416c1 |
| Source of Spectrum |
WO2012051296A2 |
| Wiley ID |
1845381 |
![2-Chloro-6-benzylamino-9-[1-(pentafluorobenzyl)-1H-1,2,3-triazol-4-yl-methyl]purine](/api/spectrum/I8RKRANLPwm/structure.png?h=300&w=458 "2-Chloro-6-benzylamino-9-[1-(pentafluorobenzyl)-1H-1,2,3-triazol-4-yl-methyl]purine")
