2-[1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-7-yl]-N-(2-methoxy-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-7-yl]-N-(2-methoxy-5-nitro-phenyl)ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)-N-(2-methoxy-5-nitro-phenyl)acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)-N-(2-methoxy-5-nitrophenyl)acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)-N-(2-methoxy-5-nitrophenyl)acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-9H-purin-7-ium-7-yl)-N-(2-methoxy-5-nitro-phenyl)acetamide Formula: C16H17N6O6+ MolecularWeight: 389.34278

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)[N+](=CN2)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)[N+](=CN2)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C16H16N6O6/c1-19-14-13(15(24)20(2)16(19)25)21(8-17-14)7-12(23)18-10-6-9(22(26)27)4-5-11(10)28-3/h4-6,8H,7H2,1-3H3,(H,18,23)/p+1