7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-8-methoxy-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-8-methoxy-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-8-methoxy-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-methoxy-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-methoxy-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-8-methoxy-1,3-dimethyl-xanthine Formula: C15H14ClFN4O3 MolecularWeight: 352.748063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C15H14ClFN4O3/c1-19-12-11(13(22)20(2)15(19)23)21(14(18-12)24-3)7-8-9(16)5-4-6-10(8)17/h4-6H,7H2,1-3H3