7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-9H-purine-2,6,8-trione

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-9H-purine-2,6,8-trione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-1,3-dimethyl-9H-purine-2,6,8-trione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-9H-purine-2,6,8-trione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-9H-purine-2,6,8-trione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-1,3-dimethyl-9H-purine-2,6,8-trione Formula: C14H12ClFN4O3 MolecularWeight: 338.721483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClFN4O3/c1-18-11-10(12(21)19(2)14(18)23)20(13(22)17-11)6-7-8(15)4-3-5-9(7)16/h3-5H,6H2,1-2H3,(H,17,22)