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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)NC(=O)N2C

Isomeric SMILES

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

InChI

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