8-Bromo-7-[2-(4-bromophenyl)-2-oxoethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

CAS Registry Number®

19977-30-1
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CAS Name

8-Bromo-7-[2-(4-bromophenyl)-2-oxoethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

Molecular Formula

C15H12Br2N4O3

Molecular Mass

456.09

Cite this Page

8-Bromo-7-[2-(4-bromophenyl)-2-oxoethyl]-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=19977-30-1 (retrieved 2024-08-10) (CAS RN: 19977-30-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    241-242 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C15H12Br2N4O3/c1-19-12-11(13(23)20(2)15(19)24)21(14(17)18-12)7-10(22)8-3-5-9(16)6-4-8/h3-6H,7H2,1-2H3

InChIKey

InChIKey=QULBLDBAHNWAKA-UHFFFAOYSA-N

SMILES

C(C(=O)C1=CC=C(Br)C=C1)N2C3=C(N(C)C(=O)N(C)C3=O)N=C2Br

Canonical SMILES

O=C1C2=C(N=C(Br)N2CC(=O)C3=CC=C(Br)C=C3)N(C(=O)N1C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 8-bromo-7-[2-(4-bromophenyl)-2-oxoethyl]-3,7-dihydro-1,3-dimethyl-
  • Theophylline, 8-bromo-7-(p-bromophenacyl)-
  • 8-Bromo-7-[2-(4-bromophenyl)-2-oxoethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione