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

Systemtic Name: 6-ethenyl-1,3,7-tris(phenylmethyl)-6H-purin-2-one Openeye Name: 1,3,7-tribenzyl-6-vinyl-6H-purin-2-one CAS Name: 6-ethenyl-1,3,7-tris(phenylmethyl)-6H-purin-2-one IUPAC Name: 1,3,7-tribenzyl-6-ethenyl-6H-purin-2-one Traditional Name: 1,3,7-tribenzyl-6-vinyl-6H-purin-2-one Formula: C28H26N4O MolecularWeight: 434.53224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC1C2=C(N=CN2CC3=CC=CC=C3)N(C(=O)N1CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C=CC1C2=C(N=CN2CC3=CC=CC=C3)N(C(=O)N1CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H26N4O/c1-2-25-26-27(29-21-30(26)18-22-12-6-3-7-13-22)32(20-24-16-10-5-11-17-24)28(33)31(25)19-23-14-8-4-9-15-23/h2-17,21,25H,1,18-20H2