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

Systemtic Name: 8-chloranyl-7-[(3-fluoranyl-4-methoxy-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[(3-fluoro-4-methoxy-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-(3-fluoro-4-methoxy-benzyl)-1,3-dimethyl-xanthine Formula: C15H14ClFN4O3 MolecularWeight: 352.748063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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