6-ethyl-6-phenyl-1,9-bis(phenylmethyl)-3H-purin-2-one

Systemtic Name: 6-ethyl-6-phenyl-1,9-bis(phenylmethyl)-3H-purin-2-one Openeye Name: 1,9-dibenzyl-6-ethyl-6-phenyl-3H-purin-2-one CAS Name: 6-ethyl-6-phenyl-1,9-bis(phenylmethyl)-3H-purin-2-one IUPAC Name: 1,9-dibenzyl-6-ethyl-6-phenyl-3H-purin-2-one Traditional Name: 1,9-dibenzyl-6-ethyl-6-phenyl-3H-purin-2-one Formula: C27H26N4O MolecularWeight: 422.52154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(NC(=O)N1CC3=CC=CC=C3)N(C=N2)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCC1(C2=C(NC(=O)N1CC3=CC=CC=C3)N(C=N2)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O/c1-2-27(23-16-10-5-11-17-23)24-25(30(20-28-24)18-21-12-6-3-7-13-21)29-26(32)31(27)19-22-14-8-4-9-15-22/h3-17,20H,2,18-19H2,1H3,(H,29,32)