7-ethyl-3-methyl-8-nitro-purine-2,6-dione

Systemtic Name: 7-ethyl-3-methyl-8-nitro-purine-2,6-dione Openeye Name: 7-ethyl-3-methyl-8-nitro-purine-2,6-dione CAS Name: 7-ethyl-3-methyl-8-nitropurine-2,6-dione IUPAC Name: 7-ethyl-3-methyl-8-nitropurine-2,6-dione Traditional Name: 7-ethyl-3-methyl-8-nitro-xanthine Formula: C8H9N5O4 MolecularWeight: 239.18816

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1[N+](=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1[N+](=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C8H9N5O4/c1-3-12-4-5(9-7(12)13(16)17)11(2)8(15)10-6(4)14/h3H2,1-2H3,(H,10,14,15)