8-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(2,3-dimethoxyphenyl)vinyl]-1,3-diethyl-7-methyl-purine-2,6-dione CAS Name: 8-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione Traditional Name: 8-[(E)-2-(2,3-dimethoxyphenyl)vinyl]-1,3-diethyl-7-methyl-xanthine Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)C=CC3=C(C(=CC=C3)OC)OC)C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C3=C(C(=CC=C3)OC)OC)C

InChI

InChI=1S/C20H24N4O4/c1-6-23-18-16(19(25)24(7-2)20(23)26)22(3)15(21-18)12-11-13-9-8-10-14(27-4)17(13)28-5/h8-12H,6-7H2,1-5H3/b12-11+