1-Butyltheobromine
| SMILES | CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C |
| InChIKey | ZCUPBJOZMPROIJ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 236.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |