AC1MWRU8
1-[(2-chlorophenyl)methyl]-8-(3,4-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione
Also Known As: Oprea1_218015|NCGC00100342-01|1-(2-chlorobenzyl)-8-(3,4-dimethylphenoxy)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione|1-(2-chlorobenzyl)-8-(3,4-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione|1-[(2-chlorophenyl)methyl]-8-(3,4-dimethylphenoxy)-3,7-dimethyl-purine-2,6-dione|1-[(2-chlorophenyl)methyl]-8-(3,4-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione|1-[(2-CHLOROPHENYL)METHYL]-8-(3,4-DIMETHYLPHENOXY)-3,7-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C22H21ClN4O3 |
|---|---|
| Molecular Weight | 424.13022 g/mol |
| LogP | 3.54454 |
| Topological Polar Surface Area | 71.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.13022 |
| Monoisotopic Mass | 424.13022 |
| Heavy Atoms | 30 |
| Complexity | 1398.258 |
Chemical Identifiers
| CAS Number | 370075-31-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4Cl)C |
Product Overview
AC1MWRU8 (CAS 370075-31-3), with molecular formula C22H21ClN4O3 and molecular weight 424.13022 g/mol. IUPAC: 1-[(2-chlorophenyl)methyl]-8-(3,4-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione.
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