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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(2-phenylpropyl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(2-phenylpropyl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-(2-phenylpropyl)propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(2-phenylpropyl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(2-phenylpropyl)propionamide Formula: C26H37N5O3 MolecularWeight: 467.60368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCC(C)C3=CC=CC=C3

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCC(C)C3=CC=CC=C3

InChI

InChI=1S/C26H37N5O3/c1-4-6-11-17-30-21(14-15-22(32)27-18-19(3)20-12-9-8-10-13-20)28-24-23(30)25(33)29-26(34)31(24)16-7-5-2/h8-10,12-13,19H,4-7,11,14-18H2,1-3H3,(H,27,32)(H,29,33,34)