2-[7-butyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-1-yl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[7-butyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-1-yl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-(7-butyl-3-isobutyl-2,6-dioxo-purin-1-yl)-N-(3-nitrophenyl)acetamide CAS Name: 2-[7-butyl-3-(2-methylpropyl)-2,6-dioxo-1-purinyl]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[7-butyl-3-(2-methylpropyl)-2,6-dioxopurin-1-yl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-(7-butyl-3-isobutyl-2,6-diketo-purin-1-yl)-N-(3-nitrophenyl)acetamide Formula: C21H26N6O5 MolecularWeight: 442.46834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N6O5/c1-4-5-9-24-13-22-19-18(24)20(29)26(21(30)25(19)11-14(2)3)12-17(28)23-15-7-6-8-16(10-15)27(31)32/h6-8,10,13-14H,4-5,9,11-12H2,1-3H3,(H,23,28)