8-bromanyl-7-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]-3-(phenylmethyl)-1-propyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]-3-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 3-benzyl-8-bromo-7-[2-oxo-2-(4-phenylphenyl)ethyl]-1-propyl-purine-2,6-dione CAS Name: 8-bromo-7-[2-oxo-2-(4-phenylphenyl)ethyl]-3-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 3-benzyl-8-bromo-7-[2-oxo-2-(4-phenylphenyl)ethyl]-1-propylpurine-2,6-dione Traditional Name: 3-benzyl-8-bromo-7-[2-keto-2-(4-phenylphenyl)ethyl]-1-propyl-xanthine Formula: C29H25BrN4O3 MolecularWeight: 557.4378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)Br)N(C1=O)CC5=CC=CC=C5

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)Br)N(C1=O)CC5=CC=CC=C5

InChI

InChI=1S/C29H25BrN4O3/c1-2-17-32-27(36)25-26(34(29(32)37)18-20-9-5-3-6-10-20)31-28(30)33(25)19-24(35)23-15-13-22(14-16-23)21-11-7-4-8-12-21/h3-16H,2,17-19H2,1H3