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

Systemtic Name: 7-[(4-bromophenyl)methyl]-8-(5-chloranylquinolin-8-yl)oxy-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-bromophenyl)methyl]-8-[(5-chloro-8-quinolyl)oxy]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-bromophenyl)methyl]-8-[(5-chloro-8-quinolinyl)oxy]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-bromophenyl)methyl]-8-(5-chloroquinolin-8-yl)oxy-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-bromobenzyl)-8-[(5-chloro-8-quinolyl)oxy]-1,3-dimethyl-xanthine Formula: C23H17BrClN5O3 MolecularWeight: 526.76978

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=C4C(=C(C=C3)Cl)C=CC=N4)CC5=CC=C(C=C5)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=C4C(=C(C=C3)Cl)C=CC=N4)CC5=CC=C(C=C5)Br

InChI

InChI=1S/C23H17BrClN5O3/c1-28-20-19(21(31)29(2)23(28)32)30(12-13-5-7-14(24)8-6-13)22(27-20)33-17-10-9-16(25)15-4-3-11-26-18(15)17/h3-11H,12H2,1-2H3