8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione

CAS Registry Number®

666816-98-4
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CAS Name

8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione

Molecular Formula

C10H9BrN4O2

Molecular Mass

297.11

Cite this Page

8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=666816-98-4 (retrieved 2024-05-02) (CAS RN: 666816-98-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H9BrN4O2/c1-3-4-5-15-6-7(12-9(15)11)14(2)10(17)13-8(6)16/h5H2,1-2H3,(H,13,16,17)

InChIKey

InChIKey=HFZOBQSHTNNKFY-UHFFFAOYSA-N

SMILES

C(C#CC)N1C2=C(N=C1Br)N(C)C(=O)NC2=O

Canonical SMILES

O=C1NC(=O)N(C=2N=C(Br)N(C12)CC#CC)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 8-bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-
  • 1H-Purine-2,6-dione, 8-bromo-7-(2-butynyl)-3,7-dihydro-3-methyl-
  • 8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione
  • 3-Methyl-7-(2-butyn-1-yl)-8-bromoxanthine

Deleted or Replaced CAS Registry Numbers

1573118-37-2, 1693758-49-4

CAS INSIGHTSTM
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