7,8,9,10-Tetrahydro-1,3-dimethyl-1H-azepino(2,1-f)purine-2,4(3H,6H)-dione
1,3-dimethyl-7,8,9,10-tetrahydro-6H-purino[7,8-a]azepine-2,4-dione
Also Known As: Heptano[a]purin-2,6-dione, 1,3-dimethyl-|J3.112.791B|1,3-Dimethyl-7,8,9,10-tetrahydro-1H-azepino[2,1-f]purine-2,4(3H,6H)-dione|7,8,9,10-Tetrahydro-1,3-dimethyl-1H-azepino[2,1-f]purine-2,4(3H,6H)-dione|1,3-dimethyl-7,8,9,10-tetrahydro-6H-purino[7,8-a]azepine-2,4-dione|1,3-dimethyl-1H,2H,3H,4H,6H,7H,8H,9H,10H-azepino[1,2-g]purine-2,4-dione|1,3-Dimethyl-7,8,9,10-tetrahydro-1H-azepino[2,1-f]purine-2,4(3H,6H)-dione #|7,8,9,10-Tetrahydro-1,3-dimethyl-1H-azepino(2,1-f)purine-2,4(3H,6H)-dione
| Molecular Formula | C12H16N4O2 |
|---|---|
| Molecular Weight | 248.12732 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.12732 |
| Monoisotopic Mass | 248.12732 |
| Heavy Atoms | 18 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 3922-49-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3CCCCCC3=N2 |
| InChIKey | RZULOVDOZXHXSP-UHFFFAOYSA-N |
Product Overview
7,8,9,10-Tetrahydro-1,3-dimethyl-1H-azepino(2,1-f)purine-2,4(3H,6H)-dione (CAS 3922-49-4), with molecular formula C12H16N4O2 and molecular weight 248.12732 g/mol. IUPAC: 1,3-dimethyl-7,8,9,10-tetrahydro-6H-purino[7,8-a]azepine-2,4-dione.