AC1MRMMB
7-(1-adamantyl)-6-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: A2815/0118996|SR-01000539082-1|7-((3r,5r,7r)-adamantan-1-yl)-8-(3,4-diethoxyphenethyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione|7-(1-adamantyl)-6-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione|7-(1-adamantyl)-8-[2-(3,4-diethoxyphenyl)ethyl]-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione|7-(ADAMANTAN-1-YL)-8-[2-(3,4-DIETHOXYPHENYL)ETHYL]-1,3-DIMETHYL-1H,2H,3H,4H,8H-IMIDAZO[1,2-G]PURINE-2,4-DIONE|7-adamantanyl-8-[2-(3,4-diethoxyphenyl)ethyl]-1,3-dimethyl-1,3,5-trihydro-4-im idazolino[1,2-h]purine-2,4-dione|8-[2-(3,4-diethoxyphenyl)ethyl]-1,3-dimethyl-7-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
| Molecular Formula | C31H39N5O4 |
|---|---|
| Molecular Weight | 545.30023 g/mol |
| LogP | 4.1943 |
| Topological Polar Surface Area | 84.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 545.30023 |
| Monoisotopic Mass | 545.30023 |
| Heavy Atoms | 40 |
| Complexity | 1703.2716 |
Chemical Identifiers
| CAS Number | 384375-65-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)CCN2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C56CC7CC(C5)CC(C7)C6)OCC |
Product Overview
AC1MRMMB (CAS 384375-65-9), with molecular formula C31H39N5O4 and molecular weight 545.30023 g/mol. IUPAC: 7-(1-adamantyl)-6-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione.