| SpectraBase Spectrum ID |
1s5Icb4sgWS |
| Name |
7-(3,4-Dichlorobenzyl)-8-[(2-fluorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H17Cl2FN4O2S |
| InChI |
InChI=1S/C21H17Cl2FN4O2S/c1-26-18-17(19(29)27(2)21(26)30)28(10-12-7-8-14(22)15(23)9-12)20(25-18)31-11-13-5-3-4-6-16(13)24/h3-9H,10-11H2,1-2H3 |
| InChIKey |
IMKHNPOVLREFSH-UHFFFAOYSA-N |
| Molecular Weight |
479.357 g/mol |
| SMILES |
c12c([n](Cc3cc(Cl)c(cc3)Cl)c(n1)SCc1c(F)cccc1)C(=O)N(C(N2C)=O)C |
| SPLASH |
splash10-0a4i-2901100000-b010da261506eb39e1a5 |
| Synonyms |
7-(3,4-dichlorobenzyl)-8-[(2-fluorobenzyl)thio]-1,3-dimethyl-xanthine
7-[(3,4-dichlorophenyl)methyl]-8-[(2-fluorophenyl)methylsulfanyl]-1,3-dimethyl-purine-2,6-dione
7-[(3,4-dichlorophenyl)methyl]-8-[(2-fluorophenyl)methylthio]-1,3-dimethylpurine-2,6-dione |
| Wiley ID |
1463902 |
![7-(3,4-Dichlorobenzyl)-8-[(2-fluorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/1s5Icb4sgWS/structure.png?h=300&w=458 "7-(3,4-Dichlorobenzyl)-8-[(2-fluorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione")
