1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butanoic acid

CAS Registry Number®

52083-48-4

CAS Name

1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butanoic acid

Molecular Formula

C11H14N4O4

Molecular Mass

266.25

Cite this Page

1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52083-48-4 (retrieved 2024-11-22) (CAS RN: 52083-48-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H14N4O4/c1-13-9-8(10(18)14(2)11(13)19)15(6-12-9)5-3-4-7(16)17/h6H,3-5H2,1-2H3,(H,16,17)

InChIKey

InChIKey=KCQMWMWEALWVLJ-UHFFFAOYSA-N

SMILES

C(CCC(O)=O)N1C2=C(N(C)C(=O)N(C)C2=O)N=C1

Canonical SMILES

O=C(O)CCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Other Names for this Substance

  • 7H-Purine-7-butanoic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
  • 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butanoic acid
  • 7-Theophyllinebutyric acid
  • 4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanoic acid

CAS INSIGHTSTM
Targeted protein degrader structure, illustration