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

Systemtic Name: 8-[(E)-2-(3-ethanoylphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(3-acetylphenyl)vinyl]-1,3-diethyl-7-methyl-purine-2,6-dione CAS Name: 8-[(E)-2-(3-acetylphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(3-acetylphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione Traditional Name: 8-[(E)-2-(3-acetylphenyl)vinyl]-1,3-diethyl-7-methyl-xanthine Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3/c1-5-23-18-17(19(26)24(6-2)20(23)27)22(4)16(21-18)11-10-14-8-7-9-15(12-14)13(3)25/h7-12H,5-6H2,1-4H3/b11-10+