| 名称 | 内容 |
|---|---|
| kegg编号 | C07130 |
| pubchemid | 9340 |
| name | Theophylline |
| formula | C7H8N4O2 |
| structure |  |
| Isomeric_Smiles | C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl |
| Cannoical_Smiles | C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl |
| Gotenzyme_Smiles | Cn1c(=O)c2[nH]cnc2n(C)c1=O |
