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

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

Systemtic Name:9-methyl-3H-purine-2,6-dione
Openeye Name:9-methyl-3H-purine-2,6-dione
CAS Name:9-methyl-3H-purine-2,6-dione
IUPAC Name:9-methyl-3H-purine-2,6-dione
Traditional Name:9-methylxanthine
Formula: C6H6N4O2
MolecularWeight: 166.13744
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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1NC(=O)NC2=O


Isomeric SMILES

CN1C=NC2=C1NC(=O)NC2=O


InChI

InChI=1S/C6H6N4O2/c1-10-2-7-3-4(10)8-6(12)9-5(3)11/h2H,1H3,(H2,8,9,11,12)


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