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
| 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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