8-[(E)-2-(3,5-dimethoxy-4-phenylmethoxy-phenyl)ethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(3,5-dimethoxy-4-phenylmethoxy-phenyl)ethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(4-benzyloxy-3,5-dimethoxy-phenyl)vinyl]-7-methyl-1,3-dipropyl-purine-2,6-dione CAS Name: 8-[(E)-2-(3,5-dimethoxy-4-phenylmethoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(3,5-dimethoxy-4-phenylmethoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione Traditional Name: 8-[(E)-2-(4-benzoxy-3,5-dimethoxy-phenyl)vinyl]-7-methyl-1,3-dipropyl-xanthine Formula: C29H34N4O5 MolecularWeight: 518.60406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C=CC3=CC(=C(C(=C3)OC)OCC4=CC=CC=C4)OC)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)/C=C/C3=CC(=C(C(=C3)OC)OCC4=CC=CC=C4)OC)C

InChI

InChI=1S/C29H34N4O5/c1-6-15-32-27-25(28(34)33(16-7-2)29(32)35)31(3)24(30-27)14-13-21-17-22(36-4)26(23(18-21)37-5)38-19-20-11-9-8-10-12-20/h8-14,17-18H,6-7,15-16,19H2,1-5H3/b14-13+