User:AngelHerraez/Sandbox/Caffeine

Caffeine
Hybrid skeletal structure of the caffeine molecule	Space-filling model of the caffeine molecule
IUPAC name	1,3,7-trimethyl- 1H-purine- 2,6(3H,7H)-dione
Other names	1,3,7-trimethylxanthine, trimethylxanthine, theine, methyltheobromine
Identifiers
CAS number	[58-08-2]
RTECS number	EV6475000
SMILES	C[n]1cnc2N(C)C(=O)N(C)C(=O)c12
ChemSpider ID	2424
Structure
3D structure	Caffeine.mol
Molecular shape	mostly planar
Except where noted otherwise, data are given for materials in their standard state (at 25 Â°C, 100 kPa) Infobox references

Contributors

AngelHerraez