| SpectraBase Spectrum ID |
D0nD1HCtvWe |
| Name |
8-(1,3-Benzodioxol-5-yloxy)-7-(2-chloro-4-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H16ClFN4O5 |
| InChI |
InChI=1S/C21H16ClFN4O5/c1-25-18-17(19(28)26(2)21(25)29)27(9-11-3-4-12(23)7-14(11)22)20(24-18)32-13-5-6-15-16(8-13)31-10-30-15/h3-8H,9-10H2,1-2H3 |
| InChIKey |
JRICKMKBJFAAGX-UHFFFAOYSA-N |
| Molecular Weight |
458.833 g/mol |
| SMILES |
c12c([n](Cc3c(cc(cc3)F)Cl)c(n1)Oc1cc3OCOc3cc1)C(=O)N(C(N2C)=O)C |
| SPLASH |
splash10-0006-3940100000-89553f07f346afed13da |
| Synonyms |
8-(1,3-benzodioxol-5-yloxy)-7-(2-chloro-4-fluoro-benzyl)-1,3-dimethyl-xanthine
8-(1,3-benzodioxol-5-yloxy)-7-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione
8-(1,3-benzodioxol-5-yloxy)-7-[(2-chloro-4-fluoro-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione |
| Wiley ID |
1463901 |
