| SpectraBase Spectrum ID |
BkCeWf8OMh7 |
| Name |
5'-[( Acetylthio)methyl]-N(6)-benzoyl-2',3',5'-trideoxy-1'a-carbaadenosine |
| Alternate Name(s) |
S-(2-{3-[6-(benzoylamino)-9H-purin-9-yl]cyclopentyl}ethyl) ethanethioate
Thioacetic acid S-{2-[3-(6-benzoylamino-purin-9-yl)-cyclopentyl]-ethyl} ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H23N5O2S |
| InChI |
InChI=1S/C21H23N5O2S/c1-14(27)29-10-9-15-7-8-17(11-15)26-13-24-18-19(22-12-23-20(18)26)25-21(28)16-5-3-2-4-6-16/h2-6,12-13,15,17H,7-11H2,1H3,(H,22,23,25,28) |
| InChIKey |
JQTXISWGRSGEOB-UHFFFAOYSA-N |
| Molecular Weight |
409.508 g/mol |
| SMILES |
N(c1c2c([n](cn2)C2CC(CCSC(=O)C)CC2)ncn1)C(=O)c1ccccc1 |
| SPLASH |
splash10-0a6r-6940000000-3280c8557bcdea97567f |
| Source of Spectrum |
H-75-1953-26 |
| Wiley ID |
1373306 |
![5'-[( Acetylthio)methyl]-N(6)-benzoyl-2',3',5'-trideoxy-1'a-carbaadenosine](/api/spectrum/BkCeWf8OMh7/structure.png?h=300&w=458 "5'-[( Acetylthio)methyl]-N(6)-benzoyl-2',3',5'-trideoxy-1'a-carbaadenosine")
