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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[2-oxidanyl-3-(4-phenylphenoxy)propyl]purine-2,6-dione Openeye Name: 8-chloro-7-[2-hydroxy-3-(4-phenylphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[2-hydroxy-3-(4-phenylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[2-hydroxy-3-(4-phenylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[2-hydroxy-3-(4-phenylphenoxy)propyl]-1,3-dimethyl-xanthine Formula: C22H21ClN4O4 MolecularWeight: 440.87954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O4/c1-25-19-18(20(29)26(2)22(25)30)27(21(23)24-19)12-16(28)13-31-17-10-8-15(9-11-17)14-6-4-3-5-7-14/h3-11,16,28H,12-13H2,1-2H3