8-Phenyltheophylline

CAS Registry Number®

961-45-5

CAS Name

8-Phenyltheophylline

Molecular Formula

C13H12N4O2

Molecular Mass

256.26

Cite this Page

8-Phenyltheophylline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=961-45-5 (retrieved 2024-11-22) (CAS RN: 961-45-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >360 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)

InChIKey

InChIKey=PJFMAVHETLRJHJ-UHFFFAOYSA-N

SMILES

O=C1C2=C(N=C(N2)C3=CC=CC=C3)N(C)C(=O)N1C

Canonical SMILES

O=C1C=2NC(=NC2N(C(=O)N1C)C)C=3C=CC=CC3

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-8-phenyl-
  • Theophylline, 8-phenyl-
  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-phenyl-
  • 3,9-Dihydro-1,3-dimethyl-8-phenyl-1H-purine-2,6-dione
  • 8-Phenyltheophylline

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration