Theophylline TMS derivative
1,3-dimethyl-7-trimethylsilylpurine-2,6-dione
Also Known As: Theophylline, TMS|Theophylline TMS derivative|Theophylline, TMS derivative|1,3-dimethyl-7-trimethylsilylpurine-2,6-dione|1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(trimethylsilyl)-|1,3-Dimethyl-7-(trimethylsilyl)-1H-purine-2,6(3H,7H)-dione|1,3-Dimethyl-7-(trimethylsilyl)-3,7-dihydro-1H-purine-2,6-dione|1,3-dimethyl-7-(trimethylsilyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione|1,3-Dimethyl-7-(trimethylsilyl)-3,7-dihydro-1H-purine-2,6-dione #
| Molecular Formula | C10H16N4O2Si |
|---|---|
| Molecular Weight | 252.10425 g/mol |
| LogP | 0.1167 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.10425 |
| Monoisotopic Mass | 252.10425 |
| Heavy Atoms | 17 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 62374-32-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)[Si](C)(C)C |
| InChIKey | KPBTTYFAGBODJB-UHFFFAOYSA-N |
Product Overview
Theophylline TMS derivative (CAS 62374-32-7), with molecular formula C10H16N4O2Si and molecular weight 252.10425 g/mol. IUPAC: 1,3-dimethyl-7-trimethylsilylpurine-2,6-dione.
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