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

Systemtic Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-(2-ethanoylphenyl)propanamide Openeye Name: N-(2-acetylphenyl)-3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)propanamide CAS Name: N-(2-acetylphenyl)-3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]propanamide IUPAC Name: N-(2-acetylphenyl)-3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]propanamide Traditional Name: N-(2-acetylphenyl)-3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)propionamide Formula: C24H31N5O4 MolecularWeight: 453.53404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=CC=CC=C3C(=O)C)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=CC=CC=C3C(=O)C)CC(C)C

InChI

InChI=1S/C24H31N5O4/c1-5-6-13-28-22-21(23(32)27-24(28)33)29(14-15(2)3)19(26-22)11-12-20(31)25-18-10-8-7-9-17(18)16(4)30/h7-10,15H,5-6,11-14H2,1-4H3,(H,25,31)(H,27,32,33)