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

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]thio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(4-besylpiperazino)-2-keto-ethyl]thio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C24H22N4O4S3 MolecularWeight: 526.65088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C24H22N4O4S3/c29-20(27-11-13-28(14-12-27)35(31,32)18-9-5-2-6-10-18)16-34-24-25-22(30)21-19(15-33-23(21)26-24)17-7-3-1-4-8-17/h1-10,15H,11-14,16H2,(H,25,26,30)