7-(2-Bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

CAS Registry Number®

23146-05-6

CAS Name

7-(2-Bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

Molecular Formula

C9H11BrN4O2

Molecular Mass

287.11

Cite this Page

7-(2-Bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=23146-05-6 (retrieved 2024-11-21) (CAS RN: 23146-05-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    144-144.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H11BrN4O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4H2,1-2H3

InChIKey

InChIKey=ZZWGXGHWFOTKNP-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C1C2=C(N=CN2CCBr)N(C(=O)N1C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-
  • Theophylline, 7-(2-bromoethyl)-
  • 7-(2-Bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
  • 7-β-Bromoethyltheophylline
  • 7-(2-Bromoethyl)theophylline

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration