3,7-Dihydro-3,7-dimethyl-1-(2-propen-1-yl)-1H-purine-2,6-dione

CAS Registry Number®

2530-99-6
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CAS Name

3,7-Dihydro-3,7-dimethyl-1-(2-propen-1-yl)-1H-purine-2,6-dione

Molecular Formula

C10H12N4O2

Molecular Mass

220.23

Cite this Page

3,7-Dihydro-3,7-dimethyl-1-(2-propen-1-yl)-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=2530-99-6 (retrieved 2024-07-02) (CAS RN: 2530-99-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    147 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H12N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h4,6H,1,5H2,2-3H3

InChIKey

InChIKey=BTFHIKZOEZREBX-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(2-propen-1-yl)-
  • Theobromine, 1-allyl-
  • 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(2-propenyl)-
  • 3,7-Dihydro-3,7-dimethyl-1-(2-propen-1-yl)-1H-purine-2,6-dione
  • 1-Allyltheobromine

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