8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-7-ethyl-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-7-ethyl-1,3-dipropyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-7-ethyl-1,3-dipropyl-purine-2,6-dione CAS Name: 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-7-ethyl-1,3-dipropylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-7-ethyl-1,3-dipropylpurine-2,6-dione Traditional Name: 8-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-7-ethyl-1,3-dipropyl-xanthine Formula: C23H30N4O4 MolecularWeight: 426.5087

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O4/c1-6-13-26-21-20(22(28)27(14-7-2)23(26)29)25(8-3)19(24-21)12-10-16-9-11-17(30-4)18(15-16)31-5/h9-12,15H,6-8,13-14H2,1-5H3/b12-10+