| SpectraBase Spectrum ID |
4nJD9M31NJs |
| Name |
7-(2-Chloro-6-fluoro-benzyl)-1,3-dimethyl-8-(2-pyridylmethylthio)xanthine |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H17ClFN5O2S |
| InChI |
InChI=1S/C20H17ClFN5O2S/c1-25-17-16(18(28)26(2)20(25)29)27(10-13-14(21)7-5-8-15(13)22)19(24-17)30-11-12-6-3-4-9-23-12/h3-9H,10-11H2,1-2H3 |
| InChIKey |
CPJZOLJMYKSBPF-UHFFFAOYSA-N |
| Molecular Weight |
445.900 g/mol |
| SMILES |
C1(=O)N(c2c(C(=O)N1C)[n](c(n2)SCc1ncccc1)Cc1c(cccc1F)Cl)C |
| SPLASH |
splash10-0006-9612100000-c76d755a6eef35801ee9 |
| Synonyms |
7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-8-(pyridin-2-ylmethylsulfanyl)purine-2,6-dione
7-[(2-chloro-6-fluoro-phenyl)methyl]-1,3-dimethyl-8-(2-pyridylmethylsulfanyl)purine-2,6-dione
7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(2-pyridinylmethylthio)purine-2,6-dione
7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(pyridin-2-ylmethylsulfanyl)purine-2,6-dione |
| Wiley ID |
1445588 |
