4-(2,3,6,7-Tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)benzenesulfonic acid

CAS Registry Number®

89073-57-4

CAS Name

4-(2,3,6,7-Tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)benzenesulfonic acid

Molecular Formula

C17H20N4O5S

Molecular Mass

392.43

Cite this Page

4-(2,3,6,7-Tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)benzenesulfonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=89073-57-4 (retrieved 2024-11-24) (CAS RN: 89073-57-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H20N4O5S/c1-3-9-20-15-13(16(22)21(10-4-2)17(20)23)18-14(19-15)11-5-7-12(8-6-11)27(24,25)26/h5-8H,3-4,9-10H2,1-2H3,(H,18,19)(H,24,25,26)

InChIKey

InChIKey=IWALGNIFYOBRKC-UHFFFAOYSA-N

SMILES

C(CC)N1C2=C(NC(=N2)C3=CC=C(S(=O)(=O)O)C=C3)C(=O)N(CCC)C1=O

Canonical SMILES

O=C1C=2NC(=NC2N(C(=O)N1CCC)CCC)C=3C=CC(=CC3)S(=O)(=O)O

Other Names for this Substance

  • Benzenesulfonic acid, 4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)-
  • 4-(2,3,6,7-Tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)benzenesulfonic acid
  • 1,3-Dipropyl-8-(p-sulfophenyl)xanthine
  • DPSPX