| SpectraBase Spectrum ID |
2JIUNB8I6u9 |
| Name |
7-(3-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)7-8-33-19-23-17-16(18(29)25(3)20(30)24(17)2)27(19)11-13-5-4-6-14(21)9-13/h4-6,9-10H,7-8,11H2,1-3H3 |
| InChIKey |
CCZHKDVPROXTRE-UHFFFAOYSA-N |
| Molecular Weight |
489.938 g/mol |
| SMILES |
c12c([n](Cc3cc(Cl)ccc3)c(n1)SCC[n]1c(N(=O)=O)cnc1C)C(=O)N(C(N2C)=O)C |
| SPLASH |
splash10-004r-6911000000-9e6b71d999c967361c0e |
| Synonyms |
7-(3-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-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[2-(2-methyl-5-nitro-1-imidazolyl)ethylthio]purine-2,6-dione
7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]purine-2,6-dione |
| Wiley ID |
1460200 |
![7-(3-chlorobenzyl)-1,3-dimethyl-8-{[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/2JIUNB8I6u9/structure.png?h=300&w=458 "7-(3-chlorobenzyl)-1,3-dimethyl-8-{[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione")
