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

Systemtic Name: 8-[(E)-2-(3,4-dimethylphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(3,4-dimethylphenyl)vinyl]-1,3-diethyl-7-methyl-purine-2,6-dione CAS Name: 8-[(E)-2-(3,4-dimethylphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(3,4-dimethylphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione Traditional Name: 8-[(E)-2-(3,4-dimethylphenyl)vinyl]-1,3-diethyl-7-methyl-xanthine Formula: C20H24N4O2 MolecularWeight: 352.43016

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O2/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(5)16(21-18)11-10-15-9-8-13(3)14(4)12-15/h8-12H,6-7H2,1-5H3/b11-10+