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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(2-methyl-4-nitro-phenyl)acetamide Formula: C16H16N6O5 MolecularWeight: 372.33544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H16N6O5/c1-9-6-10(22(26)27)4-5-11(9)18-12(23)7-21-8-17-14-13(21)15(24)20(3)16(25)19(14)2/h4-6,8H,7H2,1-3H3,(H,18,23)