8-Bromo-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

CAS Registry Number®

10381-82-5
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CAS Name

8-Bromo-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

Molecular Formula

C8H9BrN4O2

Molecular Mass

273.09

Cite this Page

8-Bromo-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=10381-82-5 (retrieved 2024-04-28) (CAS RN: 10381-82-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    205-207 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C8H9BrN4O2/c1-11-4-5(10-7(11)9)12(2)8(15)13(3)6(4)14/h1-3H3

InChIKey

InChIKey=YRLRORFORQUTKS-UHFFFAOYSA-N

SMILES

CN1C2=C(C(=O)N(C)C1=O)N(C)C(Br)=N2

Canonical SMILES

O=C1C2=C(N=C(Br)N2C)N(C(=O)N1C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-1,3,7-trimethyl-
  • Caffeine, 8-bromo-
  • 8-Bromo-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
  • 8-Bromocaffeine
  • Xanthobin

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