1-[4-(phenylsulfonyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(phenylsulfonyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(4-thieno[2,3-d]pyrimidinylthio)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone Traditional Name: 1-(4-besylpiperazino)-2-(thieno[2,3-d]pyrimidin-4-ylthio)ethanone Formula: C18H18N4O3S3 MolecularWeight: 434.55552

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC=NC3=C2C=CS3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC=NC3=C2C=CS3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H18N4O3S3/c23-16(12-27-18-15-6-11-26-17(15)19-13-20-18)21-7-9-22(10-8-21)28(24,25)14-4-2-1-3-5-14/h1-6,11,13H,7-10,12H2