Products 81781-90-0

CAS 81781-90-0 appears in our catalog under these names: Theophylline Impurity 6, 7-(2-Chloroethyl)-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-1H-purine-2,6-dione. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 1g.

Theophylline Impurity 6
Chemat Brand
  • size: on request
  • Variants: 1
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7-(2-Chloroethyl)-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-1H-purine-2,6-dione
TRC
  • size: 1g
  • Variants: 1
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Structural formula: {0} (CAS {1})

8-benzyl-7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione (CAS 81781-90-0) is a chemical compound with the molecular formula C16H17ClN4O2 and a molecular weight of 332.78 g/mol. IUPAC name: 8-benzyl-7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione. InChIKey: SCHFDMUXIZIWJD-UHFFFAOYSA-N.

Identity
Molecular formulaC16H17ClN4O2
Molecular weight332.78 g/mol
IUPAC name8-benzyl-7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione
InChIKeySCHFDMUXIZIWJD-UHFFFAOYSA-N
SMILESCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CC=CC=C3)CCCl

Computed by PubChem (NCBI)

Synonyms: 7-Chloroethyl-8-benzyltheophylline, 8-benzyl-7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione, 7-(2-Chloroethyl)-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-1H-purine-2,6-dione, 8-Benzyl-7-(2-chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-benzyl-7-(2-chloroethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione