7-[6-(4-methoxyphenyl)-6-oxidanylidene-hexyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[6-(4-methoxyphenyl)-6-oxidanylidene-hexyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[6-(4-methoxyphenyl)-6-oxo-hexyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[6-(4-methoxyphenyl)-6-oxohexyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[6-(4-methoxyphenyl)-6-oxohexyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[6-keto-6-(4-methoxyphenyl)hexyl]-1,3-dimethyl-xanthine Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H24N4O4/c1-22-18-17(19(26)23(2)20(22)27)24(13-21-18)12-6-4-5-7-16(25)14-8-10-15(28-3)11-9-14/h8-11,13H,4-7,12H2,1-3H3