2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-methoxy-2-nitro-phenyl)ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-methoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(4-methoxy-2-nitrophenyl)acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C16H16N6O6 MolecularWeight: 388.33484

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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=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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