3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-(3-ethylphenyl)propanamide

Systemtic Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-(3-ethylphenyl)propanamide Openeye Name: 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)-N-(3-ethylphenyl)propanamide CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-N-(3-ethylphenyl)propanamide IUPAC Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-(3-ethylphenyl)propanamide Traditional Name: 3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)-N-(3-ethylphenyl)propionamide Formula: C24H33N5O3 MolecularWeight: 439.55052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=CC=CC(=C3)CC)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=CC=CC(=C3)CC)CC(C)C

InChI

InChI=1S/C24H33N5O3/c1-5-7-13-28-22-21(23(31)27-24(28)32)29(15-16(3)4)19(26-22)11-12-20(30)25-18-10-8-9-17(6-2)14-18/h8-10,14,16H,5-7,11-13,15H2,1-4H3,(H,25,30)(H,27,31,32)