| SpectraBase Spectrum ID |
KQp6lp3n2SY |
| Name |
Theophylline |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C7H8N4O2 |
| InChI |
InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) |
| InChIKey |
ZFXYFBGIUFBOJW-UHFFFAOYSA-N |
| Molecular Weight |
180.167 g/mol |
| SMILES |
[nH]1c2C(N(C(N(c2nc1)C)=O)C)=O |
| SPLASH |
splash10-00ls-9400000000-0ed87c4be4fa7b202d0b |
| Source of Spectrum |
SWG-33-3064-0 |
| Synonyms |
Dimethylxanthine
1,3-Dimethyl-7H-purine-2,6-dione
1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Wiley ID |
1810023 |
