AC1NKIJP structure

AC1NKIJP

2-[(4-fluorophenyl)methyl]-4,7-dimethyl-6-phenylpurino[7,8-a]imidazole-1,3-dione

Also Known As: 3-(4-fluorobenzyl)-1,7-dimethyl-8-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione|2-[(4-fluorophenyl)methyl]-4,7-dimethyl-6-phenylpurino[7,8-a]imidazole-1,3-dione|3-[(4-fluorophenyl)methyl]-1,7-dimethyl-8-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione|3-[(4-fluorophenyl)methyl]-1,7-dimethyl-8-phenyl-1,3,5-trihydro-4-imidazolino[ 1,2-h]purine-2,4-dione

CAS: 896833-63-9
Molecular Formula C22H18FN5O2
Molecular Weight 403.14444 g/mol
LogP 2.63442
Topological Polar Surface Area 66.23 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
Rotatable Bonds 3
Exact Mass 403.14444
Monoisotopic Mass 403.14444
Heavy Atoms 30
Complexity 1522.3896

Chemical Identifiers

CAS Number 896833-63-9
SMILES CC1=CN2C3=C(N=C2N1C4=CC=CC=C4)N(C(=O)N(C3=O)CC5=CC=C(C=C5)F)C

Product Overview

AC1NKIJP (CAS 896833-63-9), with molecular formula C22H18FN5O2 and molecular weight 403.14444 g/mol. IUPAC: 2-[(4-fluorophenyl)methyl]-4,7-dimethyl-6-phenylpurino[7,8-a]imidazole-1,3-dione.

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