4-(2,3,6,9-Tetrahydro-2,6-dioxo-1-propyl-1H-purin-8-yl)benzenesulfonic acid

CAS Registry Number®

152529-79-8

CAS Name

4-(2,3,6,9-Tetrahydro-2,6-dioxo-1-propyl-1H-purin-8-yl)benzenesulfonic acid

Molecular Formula

C14H14N4O5S

Molecular Mass

350.35

Cite this Page

4-(2,3,6,9-Tetrahydro-2,6-dioxo-1-propyl-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=152529-79-8 (retrieved 2024-11-21) (CAS RN: 152529-79-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >300 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)

InChIKey

InChIKey=UYDRRQPGDSIMNU-UHFFFAOYSA-N

SMILES

O=C1C2=C(N=C(N2)C3=CC=C(S(=O)(=O)O)C=C3)NC(=O)N1CCC

Canonical SMILES

O=C1NC=2N=C(NC2C(=O)N1CCC)C=3C=CC(=CC3)S(=O)(=O)O

Other Names for this Substance

  • Benzenesulfonic acid, 4-(2,3,6,9-tetrahydro-2,6-dioxo-1-propyl-1H-purin-8-yl)-
  • Benzenesulfonic acid, 4-(2,3,6,7-tetrahydro-2,6-dioxo-1-propyl-1H-purin-8-yl)-
  • 4-(2,3,6,9-Tetrahydro-2,6-dioxo-1-propyl-1H-purin-8-yl)benzenesulfonic acid
  • PSB 1115

CAS INSIGHTSTM
Targeted protein degrader structure, illustration