8-(5-chloranylquinolin-8-yl)oxy-1-[(4-fluorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-(5-chloranylquinolin-8-yl)oxy-1-[(4-fluorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-[(5-chloro-8-quinolyl)oxy]-1-[(4-fluorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-[(5-chloro-8-quinolinyl)oxy]-1-[(4-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(5-chloroquinolin-8-yl)oxy-1-[(4-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-[(5-chloro-8-quinolyl)oxy]-1-(4-fluorobenzyl)-3,7-dimethyl-xanthine Formula: C23H17ClFN5O3 MolecularWeight: 465.864183

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OC3=C4C(=C(C=C3)Cl)C=CC=N4)N(C(=O)N(C2=O)CC5=CC=C(C=C5)F)C

Isomeric SMILES

CN1C2=C(N=C1OC3=C4C(=C(C=C3)Cl)C=CC=N4)N(C(=O)N(C2=O)CC5=CC=C(C=C5)F)C

InChI

InChI=1S/C23H17ClFN5O3/c1-28-19-20(27-22(28)33-17-10-9-16(24)15-4-3-11-26-18(15)17)29(2)23(32)30(21(19)31)12-13-5-7-14(25)8-6-13/h3-11H,12H2,1-2H3