1,3,9-trimethyl-8-nitro-purine-2,6-dione

Systemtic Name: 1,3,9-trimethyl-8-nitro-purine-2,6-dione Openeye Name: 1,3,9-trimethyl-8-nitro-purine-2,6-dione CAS Name: 1,3,9-trimethyl-8-nitropurine-2,6-dione IUPAC Name: 1,3,9-trimethyl-8-nitropurine-2,6-dione Traditional Name: 1,3,9-trimethyl-8-nitro-xanthine Formula: C8H9N5O4 MolecularWeight: 239.18816

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1[N+](=O)[O-]

InChI

InChI=1S/C8H9N5O4/c1-10-5-4(9-7(10)13(16)17)6(14)12(3)8(15)11(5)2/h1-3H3