2-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(4-phenylphenyl)ethanamide

Systemtic Name: 2-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(4-phenylphenyl)ethanamide Openeye Name: 2-(3,7-dibutyl-2,6-dioxo-purin-1-yl)-N-(4-phenylphenyl)acetamide CAS Name: 2-(3,7-dibutyl-2,6-dioxo-1-purinyl)-N-(4-phenylphenyl)acetamide IUPAC Name: 2-(3,7-dibutyl-2,6-dioxopurin-1-yl)-N-(4-phenylphenyl)acetamide Traditional Name: 2-(3,7-dibutyl-2,6-diketo-purin-1-yl)-N-(4-phenylphenyl)acetamide Formula: C27H31N5O3 MolecularWeight: 473.56674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H31N5O3/c1-3-5-16-30-19-28-25-24(30)26(34)32(27(35)31(25)17-6-4-2)18-23(33)29-22-14-12-21(13-15-22)20-10-8-7-9-11-20/h7-15,19H,3-6,16-18H2,1-2H3,(H,29,33)