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

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-(p-tolylsulfonyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-(4-thieno[2,3-d]pyrimidinylthio)ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)-1-(4-tosylpiperazino)ethanone Formula: C19H20N4O3S3 MolecularWeight: 448.5821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C19H20N4O3S3/c1-14-2-4-15(5-3-14)29(25,26)23-9-7-22(8-10-23)17(24)12-28-19-16-6-11-27-18(16)20-13-21-19/h2-6,11,13H,7-10,12H2,1H3