2,3,6,9-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purine-8-butanoic acid

CAS Registry Number®

5438-71-1

CAS Name

2,3,6,9-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purine-8-butanoic acid

Molecular Formula

C11H14N4O4

Molecular Mass

266.25

Cite this Page

2,3,6,9-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purine-8-butanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5438-71-1 (retrieved 2024-11-22) (CAS RN: 5438-71-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H14N4O4/c1-14-9-8(10(18)15(2)11(14)19)12-6(13-9)4-3-5-7(16)17/h3-5H2,1-2H3,(H,12,13)(H,16,17)

InChIKey

InChIKey=NGBYKZGOXFIONW-UHFFFAOYSA-N

SMILES

O=C1C2=C(N(C)C(=O)N1C)N=C(CCCC(O)=O)N2

Canonical SMILES

O=C(O)CCCC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

Other Names for this Substance

  • 1H-Purine-8-butanoic acid, 2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-
  • 1H-Purine-8-butanoic acid, 2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-
  • 2,3,6,9-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purine-8-butanoic acid
  • 8-(3-Carboxypropyl)theophylline
  • 8-(3-Carboxypropyl)-1,3-dimethylxanthine

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