7-Allyl-1,3-dimethylxanthine
CAS Registry Number®
61444-26-6
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CAS Name
7-Allyl-1,3-dimethylxanthineMolecular Formula
C10H12N4O2Molecular Mass
220.23Cite this Page
7-Allyl-1,3-dimethylxanthine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=61444-26-6 (retrieved ) (CAS RN: 61444-26-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
112-113 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C10H12N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h4,6H,1,5H2,2-3H3
InChIKey
InChIKey=ZGIBYCLLIMGXEZ-UHFFFAOYSA-N
SMILES
C(C=C)N1C2=C(N(C)C(=O)N(C)C2=O)N=C1
Canonical SMILES
O=C1C2=C(N=CN2CC=C)N(C(=O)N1C)C
Other Names for this Substance
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-propen-1-yl)-
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-propenyl)-
- Theophylline, 7-allyl-
- 3,7-Dihydro-1,3-dimethyl-7-(2-propen-1-yl)-1H-purine-2,6-dione
- 7-Allyl-1,3-dimethylxanthine
