3,7-Dihydro-3,7-dimethyl-1-(2-propen-1-yl)-1H-purine-2,6-dione
CAS Registry Number®
2530-99-6
CAS Name
3,7-Dihydro-3,7-dimethyl-1-(2-propen-1-yl)-1H-purine-2,6-dioneMolecular Formula
C10H12N4O2Molecular Mass
220.23Cite 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 ) (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
