| SpectraBase Spectrum ID |
30chrNTIUul |
| Name |
8-Chloro-1,3,7-trimethyl-3,7-dihydropurine-2,6-dione |
| Alternate Name(s) |
1,3,7-trimethyl-8-chloroxanthine
1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-1,3,7-trimethyl-
8-Chlorotheophylline
8-Chloranyl-1,3,7-trimethyl-7H-purine-2,6-dione |
| CAS Registry Number |
85-18-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H9ClN4O2 |
| InChI |
InChI=1S/C8H9ClN4O2/c1-11-4-5(10-7(11)9)12(2)8(15)13(3)6(4)14/h1-3H3 |
| InChIKey |
HGKPGBJNNATDRR-UHFFFAOYSA-N |
| Molecular Weight |
228.639 g/mol |
| SMILES |
c12c(C(=O)N(C(N2C)=O)C)[n](C)c(n1)Cl |
| SPLASH |
splash10-069u-9540000000-f6a142b62ed940dc46ce |
| Source of Spectrum |
CJ-1992-0-0 |
| Wiley ID |
1229065 |
