6-(2-phenylethynyl)-1,3,7-tris(phenylmethyl)-6H-purin-2-one

Systemtic Name: 6-(2-phenylethynyl)-1,3,7-tris(phenylmethyl)-6H-purin-2-one Openeye Name: 1,3,7-tribenzyl-6-(2-phenylethynyl)-6H-purin-2-one CAS Name: 6-(2-phenylethynyl)-1,3,7-tris(phenylmethyl)-6H-purin-2-one IUPAC Name: 1,3,7-tribenzyl-6-(2-phenylethynyl)-6H-purin-2-one Traditional Name: 1,3,7-tribenzyl-6-(2-phenylethynyl)-6H-purin-2-one Formula: C34H28N4O MolecularWeight: 508.61232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2C(N(C(=O)N3CC4=CC=CC=C4)CC5=CC=CC=C5)C#CC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C(N(C(=O)N3CC4=CC=CC=C4)CC5=CC=CC=C5)C#CC6=CC=CC=C6

InChI

InChI=1S/C34H28N4O/c39-34-37(24-29-17-9-3-10-18-29)31(22-21-27-13-5-1-6-14-27)32-33(38(34)25-30-19-11-4-12-20-30)35-26-36(32)23-28-15-7-2-8-16-28/h1-20,26,31H,23-25H2