5-(4-fluorophenyl)-3-[(2S)-2-oxidanyl-3-phenoxy-propyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-fluorophenyl)-3-[(2S)-2-oxidanyl-3-phenoxy-propyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-fluorophenyl)-3-[(2S)-2-hydroxy-3-phenoxy-propyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-fluorophenyl)-3-[(2S)-2-hydroxy-3-phenoxypropyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-fluorophenyl)-3-[(2S)-2-hydroxy-3-phenoxypropyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-fluorophenyl)-3-[(2S)-2-hydroxy-3-phenoxy-propyl]thieno[2,3-d]pyrimidin-4-one Formula: C21H17FN2O3S MolecularWeight: 396.434683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)F)O

Isomeric SMILES

C1=CC=C(C=C1)OC[C@H](CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)F)O

InChI

InChI=1S/C21H17FN2O3S/c22-15-8-6-14(7-9-15)18-12-28-20-19(18)21(26)24(13-23-20)10-16(25)11-27-17-4-2-1-3-5-17/h1-9,12-13,16,25H,10-11H2/t16-/m0/s1