AC1MXA1M
7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione
Also Known As: 7-(2-hydroxy-3-(p-tolyloxy)propyl)-8-((3-isopropoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione|7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione|6-hydroxy-7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-{[3-(propan-2-yloxy)propyl]amino}-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C22H31N5O5 |
|---|---|
| Molecular Weight | 445.2325 g/mol |
| LogP | 1.39862 |
| Topological Polar Surface Area | 123.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 445.2325 |
| Monoisotopic Mass | 445.2325 |
| Heavy Atoms | 32 |
| Complexity | 1146.4584 |
Chemical Identifiers
| CAS Number | 862199-29-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC(CN2C3=C(N=C2NCCCOC(C)C)N(C(=O)NC3=O)C)O |
Product Overview
AC1MXA1M (CAS 862199-29-9), with molecular formula C22H31N5O5 and molecular weight 445.2325 g/mol. IUPAC: 7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione.
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