1,3-dimethyl-7-phenethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-phenethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-phenethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-phenethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-phenethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-phenethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]xanthine Formula: C26H28N4O5 MolecularWeight: 476.52432

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C=CC3=CC(=C(C(=C3)OC)OC)OC)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)/C=C/C3=CC(=C(C(=C3)OC)OC)OC)CCC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O5/c1-28-24-22(25(31)29(2)26(28)32)30(14-13-17-9-7-6-8-10-17)21(27-24)12-11-18-15-19(33-3)23(35-5)20(16-18)34-4/h6-12,15-16H,13-14H2,1-5H3/b12-11+