7-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chloro-4-fluoro-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chloro-4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chloro-4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chloro-4-fluoro-benzyl)-1,3-dimethyl-xanthine Formula: C14H12ClFN4O2 MolecularWeight: 322.722083

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C14H12ClFN4O2/c1-18-12-11(13(21)19(2)14(18)22)20(7-17-12)6-8-3-4-9(16)5-10(8)15/h3-5,7H,6H2,1-2H3