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IUPAC Name: 1,3,7-trimethylpurine-2,6-dione | CAS Registry Number: 202282-98-2
Synonyms: [13C1]-Caffeine, 1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-3-(methyl-13C)- (9CI)

Molecular Formula:	C₈H₁₀N₄O₂	Molecular Weight:	195.183255 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: RYYVLZVUVIJVGH-VQEHIDDOSA-N