SpectraBase Spectrum ID |
4iWEtuR3wJn |
Name |
Diisopropyl{2-[(6-cyclohexylamino)-2-amino-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 |
454.245740625 u |
Formula |
C20H35N6O4P |
InChI |
InChI=1S/C20H35N6O4P/c1-14(2)29-31(27,30-15(3)4)13-28-11-10-26-12-22-17-18(24-20(21)25-19(17)26)23-16-8-6-5-7-9-16/h12,14-16H,5-11,13H2,1-4H3,(H3,21,23,24,25) |
InChIKey |
JBRNUPFKXBZBOQ-UHFFFAOYSA-N |
Molecular Weight |
454.512 g/mol |
SMILES |
C1=2C(=NC(N)=NC2NC2CCCCC2)N(CCOCP(=O)(OC(C)C)OC(C)C)C=N1 |