3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C23H30N6O6 MolecularWeight: 486.5209

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC)CC(C)C

InChI

InChI=1S/C23H30N6O6/c1-5-6-11-27-21-20(22(31)26-23(27)32)28(13-14(2)3)18(25-21)9-10-19(30)24-16-12-15(29(33)34)7-8-17(16)35-4/h7-8,12,14H,5-6,9-11,13H2,1-4H3,(H,24,30)(H,26,31,32)