| SpectraBase Spectrum ID |
6SsKVUIAg7c |
| Name |
8-[[1-(2-bromobenzyl)-1,2,4-triazol-3-yl]thio]-1,3,7-trimethyl-xanthine |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H16BrN7O2S |
| InChI |
InChI=1S/C17H16BrN7O2S/c1-22-12-13(23(2)17(27)24(3)14(12)26)20-16(22)28-15-19-9-25(21-15)8-10-6-4-5-7-11(10)18/h4-7,9H,8H2,1-3H3 |
| InChIKey |
ZPGNSXQVOWDJGA-UHFFFAOYSA-N |
| Molecular Weight |
462.326 g/mol |
| SMILES |
c12c(C(=O)N(C(N2C)=O)C)[n](C)c(n1)Sc1nc[n](n1)Cc1c(Br)cccc1 |
| SPLASH |
splash10-014i-8910000000-4d45c384dc6f9e961f46 |
| Synonyms |
8-[[1-[(2-bromophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1,3,7-trimethyl-purine-2,6-dione
8-[[1-[(2-bromophenyl)methyl]-1,2,4-triazol-3-yl]thio]-1,3,7-trimethylpurine-2,6-dione
8-{[1-(2-bromobenzyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Wiley ID |
1463610 |
![8-[[1-(2-bromobenzyl)-1,2,4-triazol-3-yl]thio]-1,3,7-trimethyl-xanthine](/api/spectrum/6SsKVUIAg7c/structure.png?h=300&w=458 "8-[[1-(2-bromobenzyl)-1,2,4-triazol-3-yl]thio]-1,3,7-trimethyl-xanthine")
