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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27N5O3/c35-25(30-17-16-22-10-4-1-5-11-22)20-34-28(36)26-27(31-21-32(26)18-23-12-6-2-7-13-23)33(29(34)37)19-24-14-8-3-9-15-24/h1-15,21H,16-20H2,(H,30,35)