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1,7-di(methyl)-3H-purine-2,6-dione

1,7-di(methyl)-3H-purine-2,6-dione

Systemtic Name:1,7-di(methyl)-3H-purine-2,6-dione
Openeye Name:1,7-di(methyl)-3H-purine-2,6-dione
CAS Name:1,7-di(methyl)-3H-purine-2,6-dione
IUPAC Name:1,7-di(methyl)-3H-purine-2,6-dione
Traditional Name:1,7-di(methyl)xanthine
Formula: C7H8N4O2
MolecularWeight: 182.14933
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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2)C


Isomeric SMILES

[13CH3]N1C=NC2=C1C(=O)N(C(=O)N2)[13CH3]


InChI

InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)/i1+1,2+1


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