8-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(4-ethoxyphenyl)vinyl]-1,3-diethyl-7-methyl-purine-2,6-dione CAS Name: 8-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione Traditional Name: 1,3-diethyl-7-methyl-8-[(E)-2-p-phenetylvinyl]xanthine Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3/c1-5-23-18-17(19(25)24(6-2)20(23)26)22(4)16(21-18)13-10-14-8-11-15(12-9-14)27-7-3/h8-13H,5-7H2,1-4H3/b13-10+