AC1MG3SI
1-[(4-chlorophenyl)methyl]-8-(furan-2-ylmethylamino)-3,7-dimethylpurine-2,6-dione
Also Known As: CBKinase1_011190|CBKinase1_023590|Oprea1_004601|Oprea1_129235|NCGC00056938-02|VU0190856-4|AB00390021-09|SR-01000298830-1|BRD-K68502425-001-01-4|F3260-0337|1-(4-chlorobenzyl)-8-((furan-2-ylmethyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione|1-(4-chlorobenzyl)-8-[(2-furylmethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione|1-[(4-chlorophenyl)methyl]-8-(furan-2-ylmethylamino)-3,7-dimethylpurine-2,6-dione|1-[(4-chlorophenyl)methyl]-8-{[(furan-2-yl)methyl]amino}-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|1-(4-chlorobenzyl)-8-[(furan-2-ylmethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C19H18ClN5O3 |
|---|---|
| Molecular Weight | 399.1098 g/mol |
| LogP | 2.3405 |
| Topological Polar Surface Area | 86.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.1098 |
| Monoisotopic Mass | 399.1098 |
| Heavy Atoms | 28 |
| Complexity | 1250.1943 |
Chemical Identifiers
| CAS Number | 369606-39-3 |
|---|---|
| SMILES | CN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Cl)C |
Product Overview
AC1MG3SI (CAS 369606-39-3), with molecular formula C19H18ClN5O3 and molecular weight 399.1098 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-8-(furan-2-ylmethylamino)-3,7-dimethylpurine-2,6-dione.