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

Systemtic Name: 5-(4-fluorophenyl)-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-fluorophenyl)-2-[[4-(2-thienylsulfonyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-fluorophenyl)-2-[(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-fluorophenyl)-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-fluorophenyl)-2-[[4-(2-thienylsulfonyl)piperazino]methyl]-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=C(C=C4)F)C(=O)N2)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)F)C(=O)N2)S(=O)(=O)C5=CC=CS5

InChI

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