| SpectraBase Spectrum ID |
9TD2OTG3yGB |
| Name |
1,3-Dibutyl-7-ethyl-8-(2,2,2-trifluoroethoxy)purine-2,6-dione |
| Alternate Name(s) |
1,3-Dibutyl-7-ethyl-8-(2,2,2-trifluoroethoxy)xanthine
1,3-Dibutyl-7-ethyl-8-[2,2,2-tris(fluoranyl)ethoxy]purine-2,6-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H25F3N4O3 |
| InChI |
InChI=1S/C17H25F3N4O3/c1-4-7-9-23-13-12(14(25)24(16(23)26)10-8-5-2)22(6-3)15(21-13)27-11-17(18,19)20/h4-11H2,1-3H3 |
| InChIKey |
KDFDEQMWDJNGQH-UHFFFAOYSA-N |
| Molecular Weight |
390.407 g/mol |
| SMILES |
c12c(C(=O)N(C(N2CCCC)=O)CCCC)[n](CC)c(n1)OCC(F)(F)F |
| SPLASH |
splash10-006x-0059000000-a4ac62b9dc49d21ca349 |
| Source of Spectrum |
U1-1999-2425-6 |
| Wiley ID |
753712 |
