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

Systemtic Name: 8-[(E)-2-(3,5-dimethoxy-4-phenylmethoxy-phenyl)ethenyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(4-benzyloxy-3,5-dimethoxy-phenyl)vinyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(E)-2-(3,5-dimethoxy-4-phenylmethoxyphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(3,5-dimethoxy-4-phenylmethoxyphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(E)-2-(4-benzoxy-3,5-dimethoxy-phenyl)vinyl]-1,3,7-trimethyl-xanthine Formula: C25H26N4O5 MolecularWeight: 462.49774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C=CC3=CC(=C(C(=C3)OC)OCC4=CC=CC=C4)OC

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)/C=C/C3=CC(=C(C(=C3)OC)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C25H26N4O5/c1-27-20(26-23-21(27)24(30)29(3)25(31)28(23)2)12-11-17-13-18(32-4)22(19(14-17)33-5)34-15-16-9-7-6-8-10-16/h6-14H,15H2,1-5H3/b12-11+