1,3-dimethyl-7-[2-oxidanyl-3-(4-phenoxyphenoxy)propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-oxidanyl-3-(4-phenoxyphenoxy)propyl]purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]-1,3-dimethyl-xanthine Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(COC3=CC=C(C=C3)OC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(COC3=CC=C(C=C3)OC4=CC=CC=C4)O

InChI

InChI=1S/C22H22N4O5/c1-24-20-19(21(28)25(2)22(24)29)26(14-23-20)12-15(27)13-30-16-8-10-18(11-9-16)31-17-6-4-3-5-7-17/h3-11,14-15,27H,12-13H2,1-2H3