3-(1,3-Dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)benzenesulfonic acid

Catalog No. :
ACZTWE493
CAS No. :
129107-78-4
Molecular Formula :
C13H12N4O5S
Molecular Weight :
336.33

IUPAC Name:3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)benzenesulfonic acid

3-(1,3-Dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)benzenesulfonic acid structure diagram
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Product Information

Product Name3-(1,3-Dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)benzenesulfonic acid
IUPAC Name3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)benzenesulfonic acid
Molecular FormulaC13H12N4O5S
Molecular Weight336.33
SMILESO=S(C1=CC=CC(C2=NC3=C(N(C)C(N(C)C3=O)=O)N2)=C1)(O)=O
InChI KeyMIVGQTOECBUWKZ-UHFFFAOYSA-N
Synonym8-(3-sulfophenyl)theophylline;Benzenesulfonic acid, 3-(2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)-
CAS No.129107-78-4

Synthetic Route by SureRoute

1. ACZTWE493 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACBUYA260 route compound structure diagram
    ACBUYA2605440-00-6 In Stock
  2. Plus
  3. ACSPVW304 route compound structure diagram
    ACSPVW30417625-03-5 In Stock
  4. Then
  5. ACZTWE493 route product structure diagram
    ACZTWE493129107-78-4
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2. ACZTWE493 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACZTWE493 route product structure diagram
    ACZTWE493129107-78-4
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