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

Systemtic Name: 7-methyl-3-oxidanyl-purine-2,6-dione Openeye Name: 3-hydroxy-7-methyl-purine-2,6-dione CAS Name: 3-hydroxy-7-methylpurine-2,6-dione IUPAC Name: 3-hydroxy-7-methylpurine-2,6-dione Traditional Name: 3-hydroxy-7-methyl-xanthine Formula: C6H6N4O3 MolecularWeight: 182.13684

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)NC(=O)N2O

Isomeric SMILES

CN1C=NC2=C1C(=O)NC(=O)N2O

InChI

InChI=1S/C6H6N4O3/c1-9-2-7-4-3(9)5(11)8-6(12)10(4)13/h2,13H,1H3,(H,8,11,12)