1-Methylxanthine

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1-Methylxanthine

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Catalog Number	PR6136374
CAS	6136-37-4
Structure
Synonyms	1-Methyl-1H-purine-2,6(3H,7H)-dione
IUPAC Name	1-methyl-3,7-dihydropurine-2,6-dione
Molecular Weight	166.14
Molecular Formula	C6H6N4O2
InChI	MVOYJPOZRLFTCP-UHFFFAOYSA-N
InChI Key	InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)
EC Number	228-108-5
Isomeric SMILES	CN1C(=O)C2=C(NC1=O)N=CN2

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