7-[8-(4-methoxyphenyl)-8-oxidanylidene-octyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[8-(4-methoxyphenyl)-8-oxidanylidene-octyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[8-(4-methoxyphenyl)-8-oxo-octyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[8-(4-methoxyphenyl)-8-oxooctyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[8-(4-methoxyphenyl)-8-oxooctyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[8-keto-8-(4-methoxyphenyl)octyl]-1,3-dimethyl-xanthine Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4/c1-24-20-19(21(28)25(2)22(24)29)26(15-23-20)14-8-6-4-5-7-9-18(27)16-10-12-17(30-3)13-11-16/h10-13,15H,4-9,14H2,1-3H3