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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-ethoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(4-ethoxy-2-nitro-phenyl)acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(4-ethoxy-2-nitrophenyl)acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(4-ethoxy-2-nitro-phenyl)acetamide Formula: C17H18N6O6 MolecularWeight: 402.36142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O6/c1-4-29-10-5-6-11(12(7-10)23(27)28)19-13(24)8-22-9-18-15-14(22)16(25)21(3)17(26)20(15)2/h5-7,9H,4,8H2,1-3H3,(H,19,24)