| SpectraBase Spectrum ID |
LM6nCfbv0CW |
| Name |
1,3-Dimethyl-7-(2-methylbenzyl)-8-(2-pyridylmethylthio)xanthine |
| Alternate Name(s) |
1,3-Dimethyl-7-(o-tolylmethyl)-8-(2-pyridylmethylsulfanyl)purine-2,6-dione
1,3-Dimethyl-7-[(2-methylphenyl)methyl]-8-(2-pyridinylmethylthio)purine-2,6-dione
1,3-Dimethyl-7-[(2-methylphenyl)methyl]-8-(pyridin-2-ylmethylsulfanyl)purine-2,6-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H21N5O2S |
| InChI |
InChI=1S/C21H21N5O2S/c1-14-8-4-5-9-15(14)12-26-17-18(24(2)21(28)25(3)19(17)27)23-20(26)29-13-16-10-6-7-11-22-16/h4-11H,12-13H2,1-3H3 |
| InChIKey |
XUIKQTIHLDHJNL-UHFFFAOYSA-N |
| Molecular Weight |
407.492 g/mol |
| SMILES |
c12N(C(N(C(c2[n](c(n1)SCc1ccccn1)Cc1ccccc1C)=O)C)=O)C |
| SPLASH |
splash10-0a4i-7901000000-a528cf8156cd24ec0279 |
| Wiley ID |
1445734 |
