N-(4-cyanophenyl)-2-[7-cyclopentyl-2-oxidanylidene-3-(phenylmethyl)purin-6-yl]oxy-ethanamide

Systemtic Name: N-(4-cyanophenyl)-2-[7-cyclopentyl-2-oxidanylidene-3-(phenylmethyl)purin-6-yl]oxy-ethanamide Openeye Name: 2-(3-benzyl-7-cyclopentyl-2-oxo-purin-6-yl)oxy-N-(4-cyanophenyl)acetamide CAS Name: N-(4-cyanophenyl)-2-[[7-cyclopentyl-2-oxo-3-(phenylmethyl)-6-purinyl]oxy]acetamide IUPAC Name: 2-(3-benzyl-7-cyclopentyl-2-oxopurin-6-yl)oxy-N-(4-cyanophenyl)acetamide Traditional Name: 2-(3-benzyl-7-cyclopentyl-2-keto-purin-6-yl)oxy-N-(4-cyanophenyl)acetamide Formula: C26H24N6O3 MolecularWeight: 468.50716

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2C(=NC(=O)N3CC4=CC=CC=C4)OCC(=O)NC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2C(=NC(=O)N3CC4=CC=CC=C4)OCC(=O)NC5=CC=C(C=C5)C#N

InChI

InChI=1S/C26H24N6O3/c27-14-18-10-12-20(13-11-18)29-22(33)16-35-25-23-24(28-17-32(23)21-8-4-5-9-21)31(26(34)30-25)15-19-6-2-1-3-7-19/h1-3,6-7,10-13,17,21H,4-5,8-9,15-16H2,(H,29,33)