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

Systemtic Name: 2-[3-butyl-7-cyclopentyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(2-phenylphenyl)ethanamide Openeye Name: 2-(3-butyl-7-cyclopentyl-2,6-dioxo-purin-1-yl)-N-(2-phenylphenyl)acetamide CAS Name: 2-(3-butyl-7-cyclopentyl-2,6-dioxo-1-purinyl)-N-(2-phenylphenyl)acetamide IUPAC Name: 2-(3-butyl-7-cyclopentyl-2,6-dioxopurin-1-yl)-N-(2-phenylphenyl)acetamide Traditional Name: 2-(3-butyl-7-cyclopentyl-2,6-diketo-purin-1-yl)-N-(2-phenylphenyl)acetamide Formula: C28H31N5O3 MolecularWeight: 485.57744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC3=CC=CC=C3C4=CC=CC=C4)N(C=N2)C5CCCC5

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC3=CC=CC=C3C4=CC=CC=C4)N(C=N2)C5CCCC5

InChI

InChI=1S/C28H31N5O3/c1-2-3-17-31-26-25(33(19-29-26)21-13-7-8-14-21)27(35)32(28(31)36)18-24(34)30-23-16-10-9-15-22(23)20-11-5-4-6-12-20/h4-6,9-12,15-16,19,21H,2-3,7-8,13-14,17-18H2,1H3,(H,30,34)