8-bromanyl-9-[(5-chloranylquinolin-8-yl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-9-[(5-chloranylquinolin-8-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-9-[(5-chloro-8-quinolyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-[(5-chloro-8-quinolinyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-9-[(5-chloroquinolin-8-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-9-[(5-chloro-8-quinolyl)methyl]-1,3-dimethyl-xanthine Formula: C17H13BrClN5O2 MolecularWeight: 434.67442

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=C4C(=C(C=C3)Cl)C=CC=N4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=C4C(=C(C=C3)Cl)C=CC=N4)Br

InChI

InChI=1S/C17H13BrClN5O2/c1-22-14-13(15(25)23(2)17(22)26)21-16(18)24(14)8-9-5-6-11(19)10-4-3-7-20-12(9)10/h3-7H,8H2,1-2H3