2-[1-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[1-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[1-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[1-[4-(benzenesulfonyl)-1-piperazinyl]ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[1-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[1-(4-besylpiperazino)ethyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H22N4O3S3 MolecularWeight: 486.63008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C22H22N4O3S3/c1-15(25-9-11-26(12-10-25)32(28,29)16-6-3-2-4-7-16)20-23-21(27)19-17(14-31-22(19)24-20)18-8-5-13-30-18/h2-8,13-15H,9-12H2,1H3,(H,23,24,27)