2-[4-[7-cyclopentyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-8-yl]-2-methoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[4-[7-cyclopentyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-8-yl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-(3-benzyl-7-cyclopentyl-2,6-dioxo-purin-8-yl)-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[7-cyclopentyl-2,6-dioxo-3-(phenylmethyl)-8-purinyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-(3-benzyl-7-cyclopentyl-2,6-dioxopurin-8-yl)-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-(3-benzyl-7-cyclopentyl-2,6-diketo-purin-8-yl)-2-methoxy-phenoxy]acetonitrile Formula: C26H25N5O4 MolecularWeight: 471.5078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NC3=C(N2C4CCCC4)C(=O)NC(=O)N3CC5=CC=CC=C5)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NC3=C(N2C4CCCC4)C(=O)NC(=O)N3CC5=CC=CC=C5)OCC#N

InChI

InChI=1S/C26H25N5O4/c1-34-21-15-18(11-12-20(21)35-14-13-27)23-28-24-22(31(23)19-9-5-6-10-19)25(32)29-26(33)30(24)16-17-7-3-2-4-8-17/h2-4,7-8,11-12,15,19H,5-6,9-10,14,16H2,1H3,(H,29,32,33)