8-Benzyl-7-(2-chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione

Catalog No. :
ACTPSD009
CAS No. :
81781-90-0
Molecular Formula :
C16H17ClN4O2
Molecular Weight :
332.79

IUPAC Name:8-benzyl-7-(2-chloroethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

8-Benzyl-7-(2-chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione structure diagram
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Product Information

Product Name8-Benzyl-7-(2-chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
IUPAC Name8-benzyl-7-(2-chloroethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
MDL No.MFCD05819727
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79
SMILESO=C(N1C)N(C)C2=C(N(CCCl)C(CC3=CC=CC=C3)=N2)C1=O
InChI KeySCHFDMUXIZIWJD-UHFFFAOYSA-N
Synonym7-(2-Chloro ethyl)-8-Benzyl Theophylline;Theophylline Impurity 6
CAS No.81781-90-0

Safety Data

Pictogram
Harmful or irritant
Signal Word
Achtung
Hazard Statement(s)
H302
Precautionary Statement(s)
P264-P270-P301+P312-P330-P501

Synthetic Route by SureRoute

1. ACTPSD009 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACDKIC461 route compound structure diagram
    ACDKIC461624-70-4 In Stock
  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACTPSD009 route product structure diagram
    ACTPSD00981781-90-0
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2. ACTPSD009 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACTPSD009 route product structure diagram
    ACTPSD00981781-90-0
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