2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-fluoranyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-fluoranyl-5-nitro-phenyl)ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(2-fluoro-5-nitro-phenyl)acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(2-fluoro-5-nitrophenyl)acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-5-nitrophenyl)acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(2-fluoro-5-nitro-phenyl)acetamide Formula: C15H13FN6O5 MolecularWeight: 376.299323

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F

InChI

InChI=1S/C15H13FN6O5/c1-19-13-12(14(24)20(2)15(19)25)21(7-17-13)6-11(23)18-10-5-8(22(26)27)3-4-9(10)16/h3-5,7H,6H2,1-2H3,(H,18,23)