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

Systemtic Name: 8-[(E)-2-(4-ethanoyl-3-methoxy-phenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(4-acetyl-3-methoxy-phenyl)vinyl]-1,3-diethyl-7-methyl-purine-2,6-dione CAS Name: 8-[(E)-2-(4-acetyl-3-methoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(4-acetyl-3-methoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione Traditional Name: 8-[(E)-2-(4-acetyl-3-methoxy-phenyl)vinyl]-1,3-diethyl-7-methyl-xanthine Formula: C21H24N4O4 MolecularWeight: 396.43966

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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)C(=O)C)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c1-6-24-19-18(20(27)25(7-2)21(24)28)23(4)17(22-19)11-9-14-8-10-15(13(3)26)16(12-14)29-5/h8-12H,6-7H2,1-5H3/b11-9+