AC1MU96B structure

AC1MU96B

7-[(3-bromophenyl)methyl]-8-(3,5-dimethylphenoxy)-1,3-dimethylpurine-2,6-dione

Also Known As: Oprea1_204987|7-(3-bromobenzyl)-8-(3,5-dimethylphenoxy)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|7-(3-bromobenzyl)-8-(3,5-dimethylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione|7-[(3-bromophenyl)methyl]-8-(3,5-dimethylphenoxy)-1,3-dimethyl-purine-2,6-dione|7-[(3-bromophenyl)methyl]-8-(3,5-dimethylphenoxy)-1,3-dimethylpurine-2,6-dione

CAS: 359710-07-9
Molecular Formula C22H21BrN4O3
Molecular Weight 468.0797 g/mol
LogP 3.65364
Topological Polar Surface Area 71.05 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 4
Exact Mass 468.0797
Monoisotopic Mass 468.0797
Heavy Atoms 30
Complexity 1378.008

Chemical Identifiers

CAS Number 359710-07-9
SMILES CC1=CC(=CC(=C1)OC2=NC3=C(N2CC4=CC(=CC=C4)Br)C(=O)N(C(=O)N3C)C)C

Product Overview

AC1MU96B (CAS 359710-07-9), with molecular formula C22H21BrN4O3 and molecular weight 468.0797 g/mol. IUPAC: 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylphenoxy)-1,3-dimethylpurine-2,6-dione.

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