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

Systemtic Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazino]methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H19FN4O3S3 MolecularWeight: 490.593963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)S(=O)(=O)C5=CC=CC(=C5)F

Isomeric SMILES

C1CN(CCN1CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)S(=O)(=O)C5=CC=CC(=C5)F

InChI

InChI=1S/C21H19FN4O3S3/c22-14-3-1-4-15(11-14)32(28,29)26-8-6-25(7-9-26)12-18-23-20(27)19-16(13-31-21(19)24-18)17-5-2-10-30-17/h1-5,10-11,13H,6-9,12H2,(H,23,24,27)