7-(3-bromobenzyl)-8-(sec-butylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione
7-[(3-bromophenyl)methyl]-8-butan-2-ylsulfanyl-3-methylpurine-2,6-dione
Also Known As: Oprea1_662807|AB00667649-01|AG-690/11026016|7-(3-bromobenzyl)-8-(sec-butylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione|7-[(3-bromophenyl)methyl]-8-butan-2-ylsulfanyl-3-methylpurine-2,6-dione|F0373-0688|7-[(3-bromophenyl)methyl]-8-(butan-2-ylsulfanyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-(3-bromobenzyl)-8-(sec-butylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C17H19BrN4O2S |
|---|---|
| Molecular Weight | 422.0412 g/mol |
| LogP | 3.1247 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.0412 |
| Monoisotopic Mass | 422.0412 |
| Heavy Atoms | 25 |
| Complexity | 1037.2844 |
Chemical Identifiers
| CAS Number | 331675-61-7 |
|---|---|
| SMILES | CCC(C)SC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C |
Product Overview
7-(3-bromobenzyl)-8-(sec-butylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 331675-61-7), with molecular formula C17H19BrN4O2S and molecular weight 422.0412 g/mol. IUPAC: 7-[(3-bromophenyl)methyl]-8-butan-2-ylsulfanyl-3-methylpurine-2,6-dione.
7-(3-bromobenzyl)-8-(sec-butylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione is a custom synthesis product. We offer services from milligram to kilogram scale.
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