| SpectraBase Spectrum ID |
CNT2Z93tDDM |
| Name |
(E)-2-amino-6-chloro-N(9)-(3,4-bis(diethylphosphono)-2-buten-1-yl)purine |
| CAS Registry Number |
135878-75-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H28ClN5O6P2 |
| InChI |
InChI=1S/C17H28ClN5O6P2/c1-5-26-30(24,27-6-2)11-13(31(25,28-7-3)29-8-4)9-10-23-12-20-14-15(18)21-17(19)22-16(14)23/h9,12H,5-8,10-11H2,1-4H3,(H2,19,21,22)/b13-9+ |
| InChIKey |
CJESAJOCGVOHEM-UKTHLTGXSA-N |
| Molecular Weight |
495.841 g/mol |
| SMILES |
Nc1nc(c2c(n1)[n](cn2)C\C=C/(P(=O)(OCC)OCC)CP(=O)(OCC)OCC)Cl |
| SPLASH |
splash10-0002-0905000000-97cac6978577f43de80a |
| Source of Spectrum |
J-57-2325-0 |
| Synonyms |
Diethyl (2E)-4-(2-amino-6-chloro-9H-purin-9-yl)-2-(diethoxyphosphoryl)-2-butenylphosphonate |
| Wiley ID |
1398039 |
