1-Ethyl-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

CAS Registry Number®

39832-36-5

CAS Name

1-Ethyl-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Molecular Formula

C9H12N4O2

Molecular Mass

208.22

Cite this Page

1-Ethyl-3,7-dihydro-3,7-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=39832-36-5 (retrieved 2025-03-12) (CAS RN: 39832-36-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    161-163 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H12N4O2/c1-4-13-8(14)6-7(10-5-11(6)2)12(3)9(13)15/h5H,4H2,1-3H3

InChIKey

InChIKey=KRVVZPXPQUPXJE-UHFFFAOYSA-N

SMILES

O=C1C2=C(N(C)C(=O)N1CC)N=CN2C

Canonical SMILES

O=C1C2=C(N=CN2C)N(C(=O)N1CC)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 1-ethyl-3,7-dihydro-3,7-dimethyl-
  • Theobromine, 1-ethyl-
  • 1-Ethyl-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
  • 1-Ethyltheobromine
  • 1-Ethyl-3,7-dimethylxanthine

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