3,9-Dihydro-1,3,8-trimethyl-1H-purine-2,6-dione

CAS Registry Number®

830-65-9

CAS Name

3,9-Dihydro-1,3,8-trimethyl-1H-purine-2,6-dione

Molecular Formula

C8H10N4O2

Molecular Mass

194.19

Cite this Page

3,9-Dihydro-1,3,8-trimethyl-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=830-65-9 (retrieved 2024-11-14) (CAS RN: 830-65-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    325 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H10N4O2/c1-4-9-5-6(10-4)11(2)8(14)12(3)7(5)13/h1-3H3,(H,9,10)

InChIKey

InChIKey=WZBKGWBHAPBSBF-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,9-dihydro-1,3,8-trimethyl-
  • Xanthine, 1,3,8-trimethyl-
  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3,8-trimethyl-
  • 3,9-Dihydro-1,3,8-trimethyl-1H-purine-2,6-dione
  • 8-Methyltheophylline

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