AC1LLTSE
8-(1,3-benzodioxol-5-yloxy)-7-benzyl-1,3-dimethylpurine-2,6-dione
Also Known As: Oprea1_382731|Oprea1_501772|AG-690/13701944|8-(1,3-benzodioxol-5-yloxy)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione|8-(1,3-benzodioxol-5-yloxy)-7-benzyl-1,3-dimethylpurine-2,6-dione|8-(benzo[d][1,3]dioxol-5-yloxy)-7-benzyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|8-(2H-1,3-BENZODIOXOL-5-YLOXY)-7-BENZYL-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
CAS: 359684-71-2
| Molecular Formula | C21H18N4O5 |
|---|---|
| Molecular Weight | 406.12772 g/mol |
| LogP | 2.003 |
| Topological Polar Surface Area | 89.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.12772 |
| Monoisotopic Mass | 406.12772 |
| Heavy Atoms | 30 |
| Complexity | 1384.777 |
Chemical Identifiers
| CAS Number | 359684-71-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5 |
Product Overview
AC1LLTSE (CAS 359684-71-2), with molecular formula C21H18N4O5 and molecular weight 406.12772 g/mol. IUPAC: 8-(1,3-benzodioxol-5-yloxy)-7-benzyl-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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