6-phenyl-1,9-bis(phenylmethyl)-3,6-dihydropurin-2-one

Systemtic Name: 6-phenyl-1,9-bis(phenylmethyl)-3,6-dihydropurin-2-one Openeye Name: 1,9-dibenzyl-6-phenyl-3,6-dihydropurin-2-one CAS Name: 6-phenyl-1,9-bis(phenylmethyl)-3,6-dihydropurin-2-one IUPAC Name: 1,9-dibenzyl-6-phenyl-3,6-dihydropurin-2-one Traditional Name: 1,9-dibenzyl-6-phenyl-3,6-dihydropurin-2-one Formula: C25H22N4O MolecularWeight: 394.46838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2NC(=O)N(C3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2NC(=O)N(C3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H22N4O/c30-25-27-24-22(26-18-28(24)16-19-10-4-1-5-11-19)23(21-14-8-3-9-15-21)29(25)17-20-12-6-2-7-13-20/h1-15,18,23H,16-17H2,(H,27,30)