AC1L43NI
9-[(2S,6S)-4-bromo-2-methyl-5-oxo-2H-pyran-6-yl]-1,3-dimethylpurine-2,6-dione
Also Known As: KN 35|1H-Purine-2,6-dione, 9-(4-bromo-3,6-dihydro-6-methyl-3-oxo-2H-pyran-2-yl)-3,9-dihydro-1,3-dimethyl-, (2S-cis)-|9-[(2S,6S)-4-bromo-2-methyl-5-oxo-2H-pyran-6-yl]-1,3-dimethylpurine-2,6-dione|9-[(2S,6S)-4-Bromo-6-methyl-3-oxo-3,6-dihydro-2H-pyran-2-yl]-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
CAS: 85145-68-2
| Molecular Formula | C13H13BrN4O4 |
|---|---|
| Molecular Weight | 368.01202 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 368.01202 |
| Monoisotopic Mass | 368.01202 |
| Heavy Atoms | 22 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 85145-68-2 |
|---|---|
| SMILES | C[C@H]1C=C(C(=O)[C@H](O1)N2C=NC3=C2N(C(=O)N(C3=O)C)C)Br |
| InChIKey | YRHNWQFYEBZVGE-QTTZVWFDSA-N |
Product Overview
AC1L43NI (CAS 85145-68-2), with molecular formula C13H13BrN4O4 and molecular weight 368.01202 g/mol. IUPAC: 9-[(2S,6S)-4-bromo-2-methyl-5-oxo-2H-pyran-6-yl]-1,3-dimethylpurine-2,6-dione.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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