Molecule Info: Caffeine
Smiles:
CN1C=NC2=C1C(=O)N(C(=O)N2C)C
InChIKey:
RYYVLZVUVIJVGH-UHFFFAOYSA-N
InChI:
InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
InChIcol:
1
More information (from its Standard Form):
Caffeine
Complex structures in which this molecule appears :
Complex Structure ID: 477 Complex Structure ID: 1001
Image of the Specific State
