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

3-Methylxanthine
3-Methylxanthine

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Intersect 2
Rounded Top

Chemical Properties & Specifications

Identifiers of 3-Methylxanthine

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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