| SpectraBase Spectrum ID |
5qpWEb1R2fe |
| Name |
3-Ethyl-1,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Alternate Name(s) |
Theobromine ethyl
3-Ethyl-1,7-dimethyl-purine-2,6-dione
3-Ethyl-1,7-dimethyl-xanthine |
| CAS Registry Number |
7464-74-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H12N4O2 |
| InChI |
InChI=1S/C9H12N4O2/c1-4-13-7-6(11(2)5-10-7)8(14)12(3)9(13)15/h5H,4H2,1-3H3 |
| InChIKey |
KHZSLIYYSMHPLX-UHFFFAOYSA-N |
| Molecular Weight |
208.221 g/mol |
| SMILES |
c1nc2c(C(N(C(N2CC)=O)C)=O)[n]1C |
| SPLASH |
splash10-0a4i-5980000000-72a77e42f4588d867893 |
| Source of Spectrum |
JZ-1992-911-0 |
| Wiley ID |
1206316 |
