AC1NCOMK structure

AC1NCOMK

1-[(3,4-dichlorophenyl)methyl]-8-(3,4-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione

Also Known As: Oprea1_638714|1-(3,4-dichlorobenzyl)-8-(3,4-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione|1-(3,4-dichlorobenzyl)-8-(3,4-dimethylphenoxy)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione|1-[(3,4-dichlorophenyl)methyl]-8-(3,4-dimethylphenoxy)-3,7-dimethyl-purine-2,6-dione|1-[(3,4-dichlorophenyl)methyl]-8-(3,4-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione

CAS: 317841-44-4
Molecular Formula C22H20Cl2N4O3
Molecular Weight 458.09125 g/mol
LogP 4.19794
Topological Polar Surface Area 71.05 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 4
Exact Mass 458.09125
Monoisotopic Mass 458.09125
Heavy Atoms 31
Complexity 1450.1415

Chemical Identifiers

CAS Number 317841-44-4
SMILES CC1=C(C=C(C=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC(=C(C=C4)Cl)Cl)C

Product Overview

AC1NCOMK (CAS 317841-44-4), with molecular formula C22H20Cl2N4O3 and molecular weight 458.09125 g/mol. IUPAC: 1-[(3,4-dichlorophenyl)methyl]-8-(3,4-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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