Details of theophylline
| IUPAC | 1,3-dimethyl-7H-purine-2,6-dione |
| Canonical Smiles | CN1C2=C(C(=O)N(C1=O)C)NC=N2 |
| Inchi | ZFXYFBGIUFBOJW-UHFFFAOYSA-N |
| PubChem ID | 2153 |
| Smiles | Cn1c(=O)c2[nH]cnc2n(C)c1=O |
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| Class | Purine alkaloids,Quinoline alkaloids |
| Super Class | Pseudoalkaloids |
| Pathways | Alkaloids |
