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

Systemtic Name: 7-[(5-chloranylquinolin-8-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(5-chloro-8-quinolyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(5-chloro-8-quinolinyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(5-chloroquinolin-8-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(5-chloro-8-quinolyl)methyl]-1,3-dimethyl-xanthine Formula: C17H14ClN5O2 MolecularWeight: 355.77836

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=C4C(=C(C=C3)Cl)C=CC=N4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=C4C(=C(C=C3)Cl)C=CC=N4

InChI

InChI=1S/C17H14ClN5O2/c1-21-15-14(16(24)22(2)17(21)25)23(9-20-15)8-10-5-6-12(18)11-4-3-7-19-13(10)11/h3-7,9H,8H2,1-2H3