AC1LK18E structure

AC1LK18E

8-[benzyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione

Also Known As: Oprea1_344742|Oprea1_819896|BAS 02999166|NCGC00286296-01|AB01286977-01|8-(benzyl(methyl)amino)-7-(4-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|F0887-0102|8-[benzyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|8-[benzyl(methyl)amino]-7-(4-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione|8-[benzyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione

CAS: 333752-53-7
Molecular Formula C22H22FN5O2
Molecular Weight 407.17575 g/mol
LogP 2.2575
Topological Polar Surface Area 65.06 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 5
Exact Mass 407.17575
Monoisotopic Mass 407.17575
Heavy Atoms 30
Complexity 1320.3896

Chemical Identifiers

CAS Number 333752-53-7
SMILES CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)CC3=CC=CC=C3)CC4=CC=C(C=C4)F

Product Overview

AC1LK18E (CAS 333752-53-7), with molecular formula C22H22FN5O2 and molecular weight 407.17575 g/mol. IUPAC: 8-[benzyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.

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