8-methoxy-1,3-dimethyl-7-[[3-(4-phenylphenoxy)phenyl]methyl]purine-2,6-dione

Systemtic Name: 8-methoxy-1,3-dimethyl-7-[[3-(4-phenylphenoxy)phenyl]methyl]purine-2,6-dione Openeye Name: 8-methoxy-1,3-dimethyl-7-[[3-(4-phenylphenoxy)phenyl]methyl]purine-2,6-dione CAS Name: 8-methoxy-1,3-dimethyl-7-[[3-(4-phenylphenoxy)phenyl]methyl]purine-2,6-dione IUPAC Name: 8-methoxy-1,3-dimethyl-7-[[3-(4-phenylphenoxy)phenyl]methyl]purine-2,6-dione Traditional Name: 8-methoxy-1,3-dimethyl-7-[3-(4-phenylphenoxy)benzyl]xanthine Formula: C27H24N4O4 MolecularWeight: 468.50386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC)CC3=CC(=CC=C3)OC4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC)CC3=CC(=CC=C3)OC4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N4O4/c1-29-24-23(25(32)30(2)27(29)33)31(26(28-24)34-3)17-18-8-7-11-22(16-18)35-21-14-12-20(13-15-21)19-9-5-4-6-10-19/h4-16H,17H2,1-3H3