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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C)C(=O)N(C(=O)N2C=CC3=C(C(=C(C=C3)O)C)C)CC

Isomeric SMILES

CCC1=NC2=C(N1C)C(=O)N(C(=O)N2/C=C/C3=C(C(=C(C=C3)O)C)C)CC

InChI

InChI=1S/C20H24N4O3/c1-6-16-21-18-17(22(16)5)19(26)23(7-2)20(27)24(18)11-10-14-8-9-15(25)13(4)12(14)3/h8-11,25H,6-7H2,1-5H3/b11-10+