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

Systemtic Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-(2-methoxy-5-methyl-phenyl)propanamide Openeye Name: 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)-N-(2-methoxy-5-methyl-phenyl)propanamide CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-N-(2-methoxy-5-methylphenyl)propanamide IUPAC Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-(2-methoxy-5-methylphenyl)propanamide Traditional Name: 3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)-N-(2-methoxy-5-methyl-phenyl)propionamide Formula: C24H33N5O4 MolecularWeight: 455.54992

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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)C)OC)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5O4/c1-6-7-12-28-22-21(23(31)27-24(28)32)29(14-15(2)3)19(26-22)10-11-20(30)25-17-13-16(4)8-9-18(17)33-5/h8-9,13,15H,6-7,10-12,14H2,1-5H3,(H,25,30)(H,27,31,32)