3-Methylxanthine (CAS NO:1076-22-8)

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Chemical Properties & Specifications

Canonical Smiles

CN1C2=C(C(=O)NC1=O)NC=N2

Inchi Key

GMSNIKWWOQHZGF-UHFFFAOYSA-N

Inchi

InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)

CAS Number

1076-22-8

Molecular Formula

C6H6N4O2

IUPAC

3-methyl-7H-purine-2,6-dione

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