1-methyl-8-nitro-3,7-dihydropurine-2,6-dione

Systemtic Name: 1-methyl-8-nitro-3,7-dihydropurine-2,6-dione Openeye Name: 1-methyl-8-nitro-3,7-dihydropurine-2,6-dione CAS Name: 1-methyl-8-nitro-3,7-dihydropurine-2,6-dione IUPAC Name: 1-methyl-8-nitro-3,7-dihydropurine-2,6-dione Traditional Name: 1-methyl-8-nitro-7H-xanthine Formula: C6H5N5O4 MolecularWeight: 211.135

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC1=O)N=C(N2)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=C(NC1=O)N=C(N2)[N+](=O)[O-]

InChI

InChI=1S/C6H5N5O4/c1-10-4(12)2-3(9-6(10)13)8-5(7-2)11(14)15/h1H3,(H,7,8)(H,9,13)