3,7-Dihydro-1,3,7,8-tetramethyl-1H-purine-2,6-dione

CAS Registry Number®

832-66-6
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CAS Name

3,7-Dihydro-1,3,7,8-tetramethyl-1H-purine-2,6-dione

Molecular Formula

C9H12N4O2

Molecular Mass

208.22

Cite this Page

3,7-Dihydro-1,3,7,8-tetramethyl-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=832-66-6 (retrieved 2024-05-02) (CAS RN: 832-66-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    206-208 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H12N4O2/c1-5-10-7-6(11(5)2)8(14)13(4)9(15)12(7)3/h1-4H3

InChIKey

InChIKey=LFHHOHMIVKIHMG-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7,8-tetramethyl-
  • Xanthine, 1,3,7,8-tetramethyl-
  • 3,7-Dihydro-1,3,7,8-tetramethyl-1H-purine-2,6-dione
  • Methylcaffeine
  • 8-Methylcaffeine

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