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

CAS Registry Number®

569-34-6
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CAS Name

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

Molecular Formula

C9H12N4O3

Molecular Mass

224.22

Cite this Page

3,7-Dihydro-8-methoxy-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?cas_rn=569-34-6 (retrieved 2024-05-18) (CAS RN: 569-34-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    176 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C9H12N4O3/c1-11-5-6(10-8(11)16-4)12(2)9(15)13(3)7(5)14/h1-4H3

InChIKey

InChIKey=ATPSJRIIRXKPER-UHFFFAOYSA-N

SMILES

CN1C2=C(N(C)C(=O)N(C)C2=O)N=C1OC

Canonical SMILES

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

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-methoxy-1,3,7-trimethyl-
  • Caffeine, 8-methoxy-
  • 3,7-Dihydro-8-methoxy-1,3,7-trimethyl-1H-purine-2,6-dione
  • 8-Methoxycaffeine
  • Methoxycaffeine

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