8-chloranyl-7-[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[2-(5-fluoro-2-methoxy-phenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[2-(5-fluoro-2-methoxy-phenyl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C16H14ClFN4O4 MolecularWeight: 380.758163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClFN4O4/c1-20-13-12(14(24)21(2)16(20)25)22(15(17)19-13)7-10(23)9-6-8(18)4-5-11(9)26-3/h4-6H,7H2,1-3H3