8-[(1E)-5,6-dimethoxy-3-methylidene-hepta-1,6-dienyl]-1,3-diethyl-7-methyl-purine-2,6-dione

Systemtic Name: 8-[(1E)-5,6-dimethoxy-3-methylidene-hepta-1,6-dienyl]-1,3-diethyl-7-methyl-purine-2,6-dione Openeye Name: 8-[(1E)-5,6-dimethoxy-3-methylene-hepta-1,6-dienyl]-1,3-diethyl-7-methyl-purine-2,6-dione CAS Name: 8-[(1E)-5,6-dimethoxy-3-methylenehepta-1,6-dienyl]-1,3-diethyl-7-methylpurine-2,6-dione IUPAC Name: 8-[(1E)-5,6-dimethoxy-3-methylidenehepta-1,6-dienyl]-1,3-diethyl-7-methylpurine-2,6-dione Traditional Name: 8-[(1E)-5,6-dimethoxy-3-methylene-hepta-1,6-dienyl]-1,3-diethyl-7-methyl-xanthine Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O4/c1-8-23-18-17(19(25)24(9-2)20(23)26)22(5)16(21-18)11-10-13(3)12-15(28-7)14(4)27-6/h10-11,15H,3-4,8-9,12H2,1-2,5-7H3/b11-10+