AC1MYMSQ

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

Also Known As: Oprea1_417949|AE-641/10754036|8-[(2-chlorobenzyl)amino]-1-(2,4-dichlorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione|8-((2-chlorobenzyl)amino)-1-(2,4-dichlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione|8-[(2-chlorophenyl)methylamino]-1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione|8-[(2-chlorophenyl)methylamino]-1-[(2,4-dichlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione

Molecular Formula	C21H18Cl3N5O2
Molecular Weight	477.0526 g/mol
LogP	4.0543
Topological Polar Surface Area	73.85 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	477.0526
Monoisotopic Mass	477.0526
Heavy Atoms	31
Complexity	1421.2858

Chemical Identifiers

CAS Number	369603-19-0
SMILES	CN1C2=C(N=C1NCC3=CC=CC=C3Cl)N(C(=O)N(C2=O)CC4=C(C=C(C=C4)Cl)Cl)C