| SpectraBase Spectrum ID |
KLzK3yMNi2h |
| Name |
7-(2-Chlorobenzyl)-1,3-dimethyl-8-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]xanthine |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H20ClN7O4S |
| InChI |
InChI=1S/C20H20ClN7O4S/c1-12-22-10-15(28(31)32)26(12)8-9-33-19-23-17-16(18(29)25(3)20(30)24(17)2)27(19)11-13-6-4-5-7-14(13)21/h4-7,10H,8-9,11H2,1-3H3 |
| InChIKey |
YTCMCAJISQTDPS-UHFFFAOYSA-N |
| Molecular Weight |
489.938 g/mol |
| SMILES |
c12c([n](Cc3c(Cl)cccc3)c(n1)SCC[n]1c(N(=O)=O)cnc1C)C(=O)N(C(N2C)=O)C |
| SPLASH |
splash10-004i-4920000000-d929615075da2ecfc5e9 |
| Synonyms |
7-(2-Chlorobenzyl)-1,3-dimethyl-8-{[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[2-(2-methyl-5-nitro-1-imidazolyl)ethylthio]purine-2,6-dione
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]purine-2,6-dione |
| Wiley ID |
1436885 |
![7-(2-Chlorobenzyl)-1,3-dimethyl-8-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]xanthine](/api/spectrum/KLzK3yMNi2h/structure.png?h=300&w=458 "7-(2-Chlorobenzyl)-1,3-dimethyl-8-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]xanthine")
