| SpectraBase Spectrum ID |
61yVgdwWHC3 |
| Name |
7-(3-Chlorobenzyl)-1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)thio]xanthine |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H16ClN7O2S |
| InChI |
InChI=1S/C17H16ClN7O2S/c1-22-9-19-21-16(22)28-15-20-13-12(14(26)24(3)17(27)23(13)2)25(15)8-10-5-4-6-11(18)7-10/h4-7,9H,8H2,1-3H3 |
| InChIKey |
LFFIQZGEIKUDJA-UHFFFAOYSA-N |
| Molecular Weight |
417.875 g/mol |
| SMILES |
c12c([n](Cc3cc(Cl)ccc3)c(n1)Sc1[n](cnn1)C)C(=O)N(C(N2C)=O)C |
| SPLASH |
splash10-0a6r-6961000000-1eadbb4024fdeaba688c |
| Synonyms |
7-(3-Chlorobenzyl)-1,3-dimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione
7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)thio]purine-2,6-dione |
| Wiley ID |
1460202 |
![7-(3-chlorobenzyl)-1,3-dimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/61yVgdwWHC3/structure.png?h=300&w=458 "7-(3-chlorobenzyl)-1,3-dimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione")
