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

Systemtic Name: 2-[2,6-bis(oxidanylidene)-3,7-bis(phenylmethyl)purin-1-yl]-N-(1-phenylethyl)ethanamide Openeye Name: 2-(3,7-dibenzyl-2,6-dioxo-purin-1-yl)-N-(1-phenylethyl)acetamide CAS Name: 2-[2,6-dioxo-3,7-bis(phenylmethyl)-1-purinyl]-N-(1-phenylethyl)acetamide IUPAC Name: 2-(3,7-dibenzyl-2,6-dioxopurin-1-yl)-N-(1-phenylethyl)acetamide Traditional Name: 2-(3,7-dibenzyl-2,6-diketo-purin-1-yl)-N-(1-phenylethyl)acetamide Formula: C29H27N5O3 MolecularWeight: 493.55638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5

InChI

InChI=1S/C29H27N5O3/c1-21(24-15-9-4-10-16-24)31-25(35)19-34-28(36)26-27(30-20-32(26)17-22-11-5-2-6-12-22)33(29(34)37)18-23-13-7-3-8-14-23/h2-16,20-21H,17-19H2,1H3,(H,31,35)