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

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(2-methyl-5-nitro-phenyl)ethanamide Openeye Name: 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)-N-(2-methyl-5-nitrophenyl)acetamide IUPAC Name: 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C16H16N6O5 MolecularWeight: 372.33544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

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