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

Systemtic Name: 2-[7-cyclopentyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-(3-benzyl-7-cyclopentyl-2,6-dioxo-purin-1-yl)-N-(m-tolyl)acetamide CAS Name: 2-[7-cyclopentyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-(3-methylphenyl)acetamide IUPAC Name: 2-(3-benzyl-7-cyclopentyl-2,6-dioxopurin-1-yl)-N-(3-methylphenyl)acetamide Traditional Name: 2-(3-benzyl-7-cyclopentyl-2,6-diketo-purin-1-yl)-N-(m-tolyl)acetamide Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CN2C(=O)C3=C(N=CN3C4CCCC4)N(C2=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CN2C(=O)C3=C(N=CN3C4CCCC4)N(C2=O)CC5=CC=CC=C5

InChI

InChI=1S/C26H27N5O3/c1-18-8-7-11-20(14-18)28-22(32)16-30-25(33)23-24(27-17-31(23)21-12-5-6-13-21)29(26(30)34)15-19-9-3-2-4-10-19/h2-4,7-11,14,17,21H,5-6,12-13,15-16H2,1H3,(H,28,32)