8-Bromo-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione

CAS Registry Number®

10381-75-6

CAS Name

8-Bromo-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione

Molecular Formula

C7H7BrN4O2

Molecular Mass

259.06

Cite this Page

8-Bromo-3,9-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=10381-75-6 (retrieved 2024-11-22) (CAS RN: 10381-75-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    307-309 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H7BrN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)

InChIKey

InChIKey=SKTFQHRVFFOHTQ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C1C=2NC(Br)=NC2N(C(=O)N1C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 8-bromo-3,9-dihydro-1,3-dimethyl-
  • Theophylline, 8-bromo-
  • 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-1,3-dimethyl-
  • 8-Bromo-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione
  • Bromotheophylline

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