AC1LKA50
8-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
Also Known As: Oprea1_043900|8-((2-chloro-6-fluorobenzyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione|AB00673532-01|F1167-0090|8-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione|8-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione|8-[(2-chloro-6-fluorobenzyl)sulfanyl]-1,3-dimethyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione|8-[(2-chloro-6-fluorobenzyl)thio]-1,3-dimethyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione|8-[(2-chloro-6-fluorophenyl)methylthio]-1,3-dimethyl-7-[(3-methylphenyl)methyl ]-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C22H20ClFN4O2S |
|---|---|
| Molecular Weight | 458.09796 g/mol |
| LogP | 3.87522 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.09796 |
| Monoisotopic Mass | 458.09796 |
| Heavy Atoms | 31 |
| Complexity | 1403.5315 |
Chemical Identifiers
| CAS Number | 369404-08-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=C(N=C2SCC4=C(C=CC=C4Cl)F)N(C(=O)N(C3=O)C)C |
Product Overview
AC1LKA50 (CAS 369404-08-0), with molecular formula C22H20ClFN4O2S and molecular weight 458.09796 g/mol. IUPAC: 8-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione.