| PDB CCD ID: | TEP |
| Number of entries in FURNA: | 4 |
| Chemical formula: | C7 H8 N4 O2 |
| 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 |
| SMILES: | CN1c2c([nH]cn2)C(=O)N(C1=O)C; CN1C(=O)N(C)c2nc[nH]c2C1=O; O=C2N(c1ncnc1C(=O)N2C)C |
| Name: | THEOPHYLLINE |
| ChEMBL: | CHEMBL190 |
| DrugBank: | DB00277 |
| ZINC: | ZINC000018043251 |
Reference: