2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H21FN4O3S2 MolecularWeight: 484.566243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)S(=O)(=O)C5=CC=CC(=C5)F

Isomeric SMILES

C1CN(CCN1CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)S(=O)(=O)C5=CC=CC(=C5)F

InChI

InChI=1S/C23H21FN4O3S2/c24-17-7-4-8-18(13-17)33(30,31)28-11-9-27(10-12-28)14-20-25-22(29)21-19(15-32-23(21)26-20)16-5-2-1-3-6-16/h1-8,13,15H,9-12,14H2,(H,25,26,29)