7-Allyl-1,3-dimethylxanthine

CAS Registry Number®

61444-26-6

CAS Name

7-Allyl-1,3-dimethylxanthine

Molecular Formula

C10H12N4O2

Molecular Mass

220.23

Cite this Page

7-Allyl-1,3-dimethylxanthine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=61444-26-6 (retrieved 2024-11-21) (CAS RN: 61444-26-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    112-113 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H12N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h4,6H,1,5H2,2-3H3

InChIKey

InChIKey=ZGIBYCLLIMGXEZ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C1C2=C(N=CN2CC=C)N(C(=O)N1C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-propen-1-yl)-
  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-propenyl)-
  • Theophylline, 7-allyl-
  • 3,7-Dihydro-1,3-dimethyl-7-(2-propen-1-yl)-1H-purine-2,6-dione
  • 7-Allyl-1,3-dimethylxanthine

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration