1,3-dimethyl-8-nitro-9-phenacyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-nitro-9-phenacyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-nitro-9-phenacyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-nitro-9-phenacylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-nitro-9-phenacylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-nitro-9-phenacyl-xanthine Formula: C15H13N5O5 MolecularWeight: 343.29422

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O5/c1-17-12-11(13(22)18(2)15(17)23)16-14(20(24)25)19(12)8-10(21)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3