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

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

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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)NCC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C26H27N5O3/c32-22(27-15-19-9-3-1-4-10-19)17-30-25(33)23-24(28-18-31(23)21-13-7-8-14-21)29(26(30)34)16-20-11-5-2-6-12-20/h1-6,9-12,18,21H,7-8,13-17H2,(H,27,32)