3-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]thieno[2,3-d]pyrimidin-4-one Formula: C21H15FN2O3S MolecularWeight: 394.418803

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CN4C=NC5=C(C4=O)C=CS5)F

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@H](O1)C3=CC=CC=C3)CN4C=NC5=C(C4=O)C=CS5)F

InChI

InChI=1S/C21H15FN2O3S/c22-16-8-14(10-24-12-23-19-17(20(24)25)6-7-28-19)18-15(9-16)11-26-21(27-18)13-4-2-1-3-5-13/h1-9,12,21H,10-11H2/t21-/m0/s1