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CHEBI:231574 - Caffeine-D3

ChEBI IDCHEBI:231574
ChEBI NameCaffeine-D3
Stars
Submittermwilliams
DownloadsMolfile
FormulaC8H7D3N4O2
Net Charge0
Average Mass197.212
Monoisotopic Mass197.09921
SMILES[2H]C([2H])([2H])n1c(=O)c2c(ncn2C)n(C)c1=O
InChIInChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i3D3
InChIKeyRYYVLZVUVIJVGH-HPRDVNIFSA-N
ChEBI Ontology
Outgoing Relation(s)
Caffeine-D3 (CHEBI:231574) is a deuterated compound (CHEBI:76107)
IUPAC Name 
3,7-dimethyl-1-(trideuteriomethyl)purine-2,6-dione