AC1MKTTU
2-[(2,5-dimethylphenyl)methyl]-6-(3-methoxypropyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 12663326|UPCMLD0ENAT5869876:001|2-[(2,5-dimethylphenyl)methyl]-6-(3-methoxypropyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione|3-[(2,5-dimethylphenyl)methyl]-8-(3-methoxypropyl)-1,6,7-trimethyl-1,3,5-trihy dro-4-imidazolino[1,2-h]purine-2,4-dione|3-[(2,5-dimethylphenyl)methyl]-8-(3-methoxypropyl)-1,6,7-trimethyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione
| Molecular Formula | C23H29N5O3 |
|---|---|
| Molecular Weight | 423.22705 g/mol |
| LogP | 2.46788 |
| Topological Polar Surface Area | 75.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.22705 |
| Monoisotopic Mass | 423.22705 |
| Heavy Atoms | 31 |
| Complexity | 1417.7513 |
Chemical Identifiers
| CAS Number | 876675-45-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CN2C(=O)C3=C(N=C4N3C(=C(N4CCCOC)C)C)N(C2=O)C |
Product Overview
AC1MKTTU (CAS 876675-45-5), with molecular formula C23H29N5O3 and molecular weight 423.22705 g/mol. IUPAC: 2-[(2,5-dimethylphenyl)methyl]-6-(3-methoxypropyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione.
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