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

Systemtic Name: 7-[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(5-fluoro-2-methoxy-phenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(5-fluoro-2-methoxy-phenyl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C16H15FN4O4 MolecularWeight: 346.313103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15FN4O4/c1-19-14-13(15(23)20(2)16(19)24)21(8-18-14)7-11(22)10-6-9(17)4-5-12(10)25-3/h4-6,8H,7H2,1-3H3