| SpectraBase Spectrum ID |
EvZXIDI0pnt |
| Name |
1,3-Propanediol, 2-[2-(2-amino-6-chloro-9H-purin-9-yl)-1-fluoroethyl]-, dibenzoate (ester) |
| CAS Registry Number |
119117-74-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H21ClFN5O4 |
| InChI |
InChI=1S/C24H21ClFN5O4/c25-20-19-21(30-24(27)29-20)31(14-28-19)11-18(26)17(12-34-22(32)15-7-3-1-4-8-15)13-35-23(33)16-9-5-2-6-10-16/h1-10,14,17-18H,11-13H2,(H2,27,29,30) |
| InChIKey |
XGWWHBUGGYCTJV-UHFFFAOYSA-N |
| Molecular Weight |
497.914 g/mol |
| SMILES |
Nc1nc(c2c([n](cn2)CC(C(COC(=O)c2ccccc2)COC(=O)c2ccccc2)F)n1)Cl |
| SPLASH |
splash10-0a6r-2921200000-8327b9545bb556e17f92 |
| Source of Spectrum |
KC-1988-2764-11 |
| Synonyms |
2-Amino-9-(4-benzoyloxy-3-benzoyloxymethyl-2-fluoro-butyl)-6-chloropurine
4-(2-amino-6-chloro-9H-purin-9-yl)-2-[(benzoyloxy)methyl]-3-fluorobutyl benzoate |
| Wiley ID |
1398389 |
![1,3-Propanediol, 2-[2-(2-amino-6-chloro-9H-purin-9-yl)-1-fluoroethyl]-, dibenzoate (ester)](/api/spectrum/EvZXIDI0pnt/structure.png?h=300&w=458 "1,3-Propanediol, 2-[2-(2-amino-6-chloro-9H-purin-9-yl)-1-fluoroethyl]-, dibenzoate (ester)")
