7-[1-(2-fluoranyl-4-methoxy-phenyl)-1-oxidanylidene-propan-2-yl]-3-methyl-purine-2,6-dione

Systemtic Name: 7-[1-(2-fluoranyl-4-methoxy-phenyl)-1-oxidanylidene-propan-2-yl]-3-methyl-purine-2,6-dione Openeye Name: 7-[2-(2-fluoro-4-methoxy-phenyl)-1-methyl-2-oxo-ethyl]-3-methyl-purine-2,6-dione CAS Name: 7-[1-(2-fluoro-4-methoxyphenyl)-1-oxopropan-2-yl]-3-methylpurine-2,6-dione IUPAC Name: 7-[1-(2-fluoro-4-methoxyphenyl)-1-oxopropan-2-yl]-3-methylpurine-2,6-dione Traditional Name: 7-[2-(2-fluoro-4-methoxy-phenyl)-2-keto-1-methyl-ethyl]-3-methyl-xanthine Formula: C16H15FN4O4 MolecularWeight: 346.313103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C(C=C(C=C1)OC)F)N2C=NC3=C2C(=O)NC(=O)N3C

Isomeric SMILES

CC(C(=O)C1=C(C=C(C=C1)OC)F)N2C=NC3=C2C(=O)NC(=O)N3C

InChI

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