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

Systemtic Name: 3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]-N-(1-phenylbutyl)propanamide Openeye Name: 3-(3,7-dibutyl-2,6-dioxo-purin-8-yl)-N-(1-phenylbutyl)propanamide CAS Name: 3-(3,7-dibutyl-2,6-dioxo-8-purinyl)-N-(1-phenylbutyl)propanamide IUPAC Name: 3-(3,7-dibutyl-2,6-dioxopurin-8-yl)-N-(1-phenylbutyl)propanamide Traditional Name: 3-(3,7-dibutyl-2,6-diketo-purin-8-yl)-N-(1-phenylbutyl)propionamide Formula: C26H37N5O3 MolecularWeight: 467.60368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N5O3/c1-4-7-17-30-21(28-24-23(30)25(33)29-26(34)31(24)18-8-5-2)15-16-22(32)27-20(12-6-3)19-13-10-9-11-14-19/h9-11,13-14,20H,4-8,12,15-18H2,1-3H3,(H,27,32)(H,29,33,34)