2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-fluorophenyl)-3-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-fluorophenyl)-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-fluorophenyl)-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-5-(4-fluorophenyl)-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-fluorophenyl)-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-fluorophenyl)-3-phenyl-2-(piperonylthio)thieno[2,3-d]pyrimidin-4-one Formula: C26H17FN2O3S2 MolecularWeight: 488.553183

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSC3=NC4=C(C(=CS4)C5=CC=C(C=C5)F)C(=O)N3C6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSC3=NC4=C(C(=CS4)C5=CC=C(C=C5)F)C(=O)N3C6=CC=CC=C6

InChI

InChI=1S/C26H17FN2O3S2/c27-18-9-7-17(8-10-18)20-14-33-24-23(20)25(30)29(19-4-2-1-3-5-19)26(28-24)34-13-16-6-11-21-22(12-16)32-15-31-21/h1-12,14H,13,15H2