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

Systemtic Name: 8-[(E)-2-(2-chloranyl-3,4-dimethoxy-phenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(2-chloro-3,4-dimethoxy-phenyl)vinyl]-1,3-diethyl-7-methyl-purine-2,6-dione CAS Name: 8-[(E)-2-(2-chloro-3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(2-chloro-3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione Traditional Name: 8-[(E)-2-(2-chloro-3,4-dimethoxy-phenyl)vinyl]-1,3-diethyl-7-methyl-xanthine Formula: C20H23ClN4O4 MolecularWeight: 418.87402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O4/c1-6-24-18-16(19(26)25(7-2)20(24)27)23(3)14(22-18)11-9-12-8-10-13(28-4)17(29-5)15(12)21/h8-11H,6-7H2,1-5H3/b11-9+