9-[2-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]-3-methyl-purine-2,6-dione

Systemtic Name: 9-[2-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]-3-methyl-purine-2,6-dione Openeye Name: 9-[2-(2-fluoro-4-methoxy-phenyl)-2-oxo-ethyl]-3-methyl-purine-2,6-dione CAS Name: 9-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione IUPAC Name: 9-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione Traditional Name: 9-[2-(2-fluoro-4-methoxy-phenyl)-2-keto-ethyl]-3-methyl-xanthine Formula: C15H13FN4O4 MolecularWeight: 332.286523

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N=CN2CC(=O)C3=C(C=C(C=C3)OC)F

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N=CN2CC(=O)C3=C(C=C(C=C3)OC)F

InChI

InChI=1S/C15H13FN4O4/c1-19-14-12(13(22)18-15(19)23)17-7-20(14)6-11(21)9-4-3-8(24-2)5-10(9)16/h3-5,7H,6H2,1-2H3,(H,18,22,23)