8-[3-[(E)-3-imidazol-1-yl-3-oxidanylidene-prop-1-enyl]phenyl]-1,3-bis(phenylmethyl)-7H-purine-2,6-dione

Systemtic Name: 8-[3-[(E)-3-imidazol-1-yl-3-oxidanylidene-prop-1-enyl]phenyl]-1,3-bis(phenylmethyl)-7H-purine-2,6-dione Openeye Name: 1,3-dibenzyl-8-[3-[(E)-3-imidazol-1-yl-3-oxo-prop-1-enyl]phenyl]-7H-purine-2,6-dione CAS Name: 8-[3-[(E)-3-(1-imidazolyl)-3-oxoprop-1-enyl]phenyl]-1,3-bis(phenylmethyl)-7H-purine-2,6-dione IUPAC Name: 1,3-dibenzyl-8-[3-[(E)-3-imidazol-1-yl-3-oxoprop-1-enyl]phenyl]-7H-purine-2,6-dione Traditional Name: 1,3-dibenzyl-8-[3-[(E)-3-imidazol-1-yl-3-keto-prop-1-enyl]phenyl]-7H-purine-2,6-quinone Formula: C31H24N6O3 MolecularWeight: 528.56066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC(=N3)C5=CC(=CC=C5)C=CC(=O)N6C=CN=C6

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC(=N3)C5=CC(=CC=C5)/C=C/C(=O)N6C=CN=C6

InChI

InChI=1S/C31H24N6O3/c38-26(35-17-16-32-21-35)15-14-22-12-7-13-25(18-22)28-33-27-29(34-28)36(19-23-8-3-1-4-9-23)31(40)37(30(27)39)20-24-10-5-2-6-11-24/h1-18,21H,19-20H2,(H,33,34)/b15-14+