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Home > Encyclopedia > 7-(3-bromobenzyl)-8-[(4-chlorobutyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione

7-(3-bromobenzyl)-8-[(4-chlorobutyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione

7-(3-bromobenzyl)-8-[(4-chlorobutyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione structure

7-(3-bromobenzyl)-8-[(4-chlorobutyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione 

structure
  • CAS No:

    331726-00-2

  • Formula:

    C17H18BrClN4O2S

  • Chemical Name:

    7-(3-bromobenzyl)-8-[(4-chlorobutyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione

  • Synonyms:

    7-(3-bromobenzyl)-8-[(4-chlorobutyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione;STK527714;ZINC13231940;AKOS000578777;MCULE-5708890497;ST50232352;AG-690/11203351;7-(3-BR-BENZYL)-8-(4-CHLORO-BUTYLSULFANYL)-3-METHYL-3,7-DIHYDRO-PURINE-2,6-DIONE;7-[(3-bromophenyl)methyl]-8-(4-chlorobutylthio)-3-methyl-1,3,7-trihydropurine- 2,6-dione;331726-00-2

7-(3-bromobenzyl)-8-[(4-chlorobutyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione Basic Attributes

457.77242

456.002

Characteristics

92.5

3.8

Computed Properties

Molecular Weight:457.8
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:456.00224
Monoisotopic Mass:456.00224
Topological Polar Surface Area:92.5
Heavy Atom Count:26
Complexity:529
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 7-(3-bromobenzyl)-8-[(4-chlorobutyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione

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