| SpectraBase Spectrum ID |
FDD1egwC9Zz |
| Name |
Diisopropyl{2-[2-amino-6-(N-butylamino)-9H-purine-9-yl]ethoxy}methylphosphonate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.230090561 u |
| Formula |
C18H33N6O4P |
| InChI |
InChI=1S/C18H33N6O4P/c1-6-7-8-20-16-15-17(23-18(19)22-16)24(11-21-15)9-10-26-12-29(25,27-13(2)3)28-14(4)5/h11,13-14H,6-10,12H2,1-5H3,(H3,19,20,22,23) |
| InChIKey |
CIJPHDYVEXDPHJ-UHFFFAOYSA-N |
| Molecular Weight |
428.474 g/mol |
| SMILES |
C=12C(N=CN2CCOCP(=O)(OC(C)C)OC(C)C)=C(NCCCC)N=C(N1)N |
![Diisopropyl{2-[2-amino-6-(n-butylamino)-9H-purine-9-yl]ethoxy}methylphosphonate](/api/spectrum/FDD1egwC9Zz/structure.png?h=300&w=458 "Diisopropyl{2-[2-amino-6-(n-butylamino)-9H-purine-9-yl]ethoxy}methylphosphonate")
