AC1MKW52 structure

AC1MKW52

2-[(4-chlorophenyl)methyl]-6-(3-ethoxypropyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione

Also Known As: BAS 13030749|VU0509707-1|F3124-1170|2-[(4-chlorophenyl)methyl]-6-(3-ethoxypropyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione|3-(4-chlorobenzyl)-8-(3-ethoxypropyl)-1,6,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione|3-[(4-chlorophenyl)methyl]-8-(3-ethoxypropyl)-1,6,7-trimethyl-1,3,5-trihydro-4 -imidazolino[1,2-h]purine-2,4-dione|3-[(4-chlorophenyl)methyl]-8-(3-ethoxypropyl)-1,6,7-trimethyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione

CAS: 878422-91-4
Molecular Formula C22H26ClN5O3
Molecular Weight 443.17242 g/mol
LogP 2.89454
Topological Polar Surface Area 75.46 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 7
Exact Mass 443.17242
Monoisotopic Mass 443.17242
Heavy Atoms 31
Complexity 1375.4004

Chemical Identifiers

CAS Number 878422-91-4
SMILES CCOCCCN1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)Cl)C)C

Product Overview

AC1MKW52 (CAS 878422-91-4), with molecular formula C22H26ClN5O3 and molecular weight 443.17242 g/mol. IUPAC: 2-[(4-chlorophenyl)methyl]-6-(3-ethoxypropyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione.

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