3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]-N-(3-methyl-1-phenyl-butyl)propanamide

Systemtic Name: 3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]-N-(3-methyl-1-phenyl-butyl)propanamide Openeye Name: 3-(3,7-dibutyl-2,6-dioxo-purin-8-yl)-N-(3-methyl-1-phenyl-butyl)propanamide CAS Name: 3-(3,7-dibutyl-2,6-dioxo-8-purinyl)-N-(3-methyl-1-phenylbutyl)propanamide IUPAC Name: 3-(3,7-dibutyl-2,6-dioxopurin-8-yl)-N-(3-methyl-1-phenylbutyl)propanamide Traditional Name: 3-(3,7-dibutyl-2,6-diketo-purin-8-yl)-N-(3-methyl-1-phenyl-butyl)propionamide Formula: C27H39N5O3 MolecularWeight: 481.63026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC(CC(C)C)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC(CC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C27H39N5O3/c1-5-7-16-31-22(29-25-24(31)26(34)30-27(35)32(25)17-8-6-2)14-15-23(33)28-21(18-19(3)4)20-12-10-9-11-13-20/h9-13,19,21H,5-8,14-18H2,1-4H3,(H,28,33)(H,30,34,35)