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

CAS Registry Number®

5614-56-2

CAS Name

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

Molecular Formula

C9H10N4O4

Molecular Mass

238.20

Cite this Page

2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5614-56-2 (retrieved 2024-11-22) (CAS RN: 5614-56-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    260 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C9H10N4O4/c1-11-4-10-7-6(11)8(16)13(3-5(14)15)9(17)12(7)2/h4H,3H2,1-2H3,(H,14,15)

InChIKey

InChIKey=YCTSCXLOPJCPDH-UHFFFAOYSA-N

SMILES

O=C1C2=C(N(C)C(=O)N1CC(O)=O)N=CN2C

Canonical SMILES

O=C(O)CN1C(=O)C2=C(N=CN2C)N(C1=O)C

Other Names for this Substance

  • 1H-Purine-1-acetic acid, 2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-
  • Purine-1(2H)-acetic acid, 3,6-dihydro-3,7-dimethyl-2,6-dioxo-
  • 2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetic acid
  • 1-Theobromineacetic acid
  • 2-(3,7-Dimethyl-2,6-dioxopurin-1-yl)acetic acid

View All

Deleted or Replaced CAS Registry Numbers

116378-56-4

CAS INSIGHTSTM
Targeted protein degrader structure, illustration