AC1LQUNJ structure

AC1LQUNJ

7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-8-bromo-3-methylpurine-2,6-dione

Also Known As: 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione|SR-01000012827-1|F1468-0010|7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-8-bromo-3-methylpurine-2,6-dione|7-[2-(1H-1,3-benzodiazol-2-ylsulfanyl)ethyl]-8-bromo-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-(2-benzimidazol-2-ylthioethyl)-8-bromo-3-methyl-1,3,7-trihydropurine-2,6-dio ne|7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-8-bromo-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one

CAS: 714283-46-2
Molecular Formula C15H13BrN6O2S
Molecular Weight 420.0004 g/mol
LogP 1.8544
Topological Polar Surface Area 101.36 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
Rotatable Bonds 4
Exact Mass 420.0004
Monoisotopic Mass 420.0004
Heavy Atoms 25
Complexity 1171.3889

Chemical Identifiers

CAS Number 714283-46-2
SMILES CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCSC3=NC4=CC=CC=C4N3

Product Overview

AC1LQUNJ (CAS 714283-46-2), with molecular formula C15H13BrN6O2S and molecular weight 420.0004 g/mol. IUPAC: 7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-8-bromo-3-methylpurine-2,6-dione.

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