6-(2-phenylethynyl)-1,9-bis(phenylmethyl)purin-2-one

Systemtic Name: 6-(2-phenylethynyl)-1,9-bis(phenylmethyl)purin-2-one Openeye Name: 1,9-dibenzyl-6-(2-phenylethynyl)purin-2-one CAS Name: 6-(2-phenylethynyl)-1,9-bis(phenylmethyl)-2-purinone IUPAC Name: 1,9-dibenzyl-6-(2-phenylethynyl)purin-2-one Traditional Name: 1,9-dibenzyl-6-(2-phenylethynyl)purin-2-one Formula: C27H20N4O MolecularWeight: 416.4739

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C(N(C(=O)N=C32)CC4=CC=CC=C4)C#CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C(N(C(=O)N=C32)CC4=CC=CC=C4)C#CC5=CC=CC=C5

InChI

InChI=1S/C27H20N4O/c32-27-29-26-25(28-20-30(26)18-22-12-6-2-7-13-22)24(17-16-21-10-4-1-5-11-21)31(27)19-23-14-8-3-9-15-23/h1-15,20H,18-19H2