N-(4-cyanophenyl)-2-[7-cyclopentyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide

Systemtic Name: N-(4-cyanophenyl)-2-[7-cyclopentyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide Openeye Name: 2-(3-benzyl-7-cyclopentyl-2,6-dioxo-purin-1-yl)-N-(4-cyanophenyl)acetamide CAS Name: N-(4-cyanophenyl)-2-[7-cyclopentyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: 2-(3-benzyl-7-cyclopentyl-2,6-dioxopurin-1-yl)-N-(4-cyanophenyl)acetamide Traditional Name: 2-(3-benzyl-7-cyclopentyl-2,6-diketo-purin-1-yl)-N-(4-cyanophenyl)acetamide Formula: C26H24N6O3 MolecularWeight: 468.50716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N6O3/c27-14-18-10-12-20(13-11-18)29-22(33)16-31-25(34)23-24(28-17-32(23)21-8-4-5-9-21)30(26(31)35)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)