AC1LCXGX
1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione
Also Known As: Oprea1_254814|NCGC00020886-01|NCGC00020886-02|NCGC00020886-03|AB00385071-08|AN-512/13208081|SR-01000002747-2|1-(4-chlorobenzyl)-3,7-dimethyl-8-(pyridin-3-ylmethoxy)-3,7-dihydro-1H-purine-2,6-dione|1-(4-chlorobenzyl)-3,7-dimethyl-8-(3-pyridinylmethoxy)-3,7-dihydro-1H-purine-2,6-dione|1-(4-chlorobenzyl)-3,7-dimethyl-8-(pyridin-3-ylmethoxy)-1H-purine-2,6(3H,7H)-dione|1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione
| Molecular Formula | C20H18ClN5O3 |
|---|---|
| Molecular Weight | 411.1098 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 80.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.1098 |
| Monoisotopic Mass | 411.1098 |
| Heavy Atoms | 29 |
| Complexity | 615.0 |
Chemical Identifiers
| CAS Number | 370076-41-8 |
|---|---|
| SMILES | CN1C2=C(N=C1OCC3=CN=CC=C3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Cl)C |
| InChIKey | LUMDOCZALOCEEU-UHFFFAOYSA-N |
Product Overview
AC1LCXGX (CAS 370076-41-8), with molecular formula C20H18ClN5O3 and molecular weight 411.1098 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione.
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