| SpectraBase Spectrum ID |
LgXqOrPPZ7o |
| Name |
Diisopropyl{2-[2-amino-6-(N-propylamino)-9H-purine-9-yl]ethoxy}methyl-phosphonate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.214440496 u |
| Formula |
C17H31N6O4P |
| InChI |
InChI=1S/C17H31N6O4P/c1-6-7-19-15-14-16(22-17(18)21-15)23(10-20-14)8-9-25-11-28(24,26-12(2)3)27-13(4)5/h10,12-13H,6-9,11H2,1-5H3,(H3,18,19,21,22) |
| InChIKey |
UIJQJPWCUHCCSL-UHFFFAOYSA-N |
| Molecular Weight |
414.447 g/mol |
| SMILES |
C=12C(N=CN2CCOCP(=O)(OC(C)C)OC(C)C)=C(NCCC)N=C(N1)N |
![Diisopropyl{2-[2-amino-6-(n-propylamino)-9H-purine-9-yl]ethoxy}methyl-phosphonate](/api/spectrum/LgXqOrPPZ7o/structure.png?h=300&w=458 "Diisopropyl{2-[2-amino-6-(n-propylamino)-9H-purine-9-yl]ethoxy}methyl-phosphonate")
