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

Systemtic Name: 6-methyl-1,3,7-tris(phenylmethyl)-6H-purin-2-one Openeye Name: 1,3,7-tribenzyl-6-methyl-6H-purin-2-one CAS Name: 6-methyl-1,3,7-tris(phenylmethyl)-6H-purin-2-one IUPAC Name: 1,3,7-tribenzyl-6-methyl-6H-purin-2-one Traditional Name: 1,3,7-tribenzyl-6-methyl-6H-purin-2-one Formula: C27H26N4O MolecularWeight: 422.52154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O/c1-21-25-26(28-20-29(25)17-22-11-5-2-6-12-22)31(19-24-15-9-4-10-16-24)27(32)30(21)18-23-13-7-3-8-14-23/h2-16,20-21H,17-19H2,1H3