3-methyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-methyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-3-methyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-methyl-2-[[2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]thio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]sulfanyl-3-methylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(4-benzylsulfonylpiperazino)-2-keto-ethyl]thio]-3-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C20H22N4O4S3 MolecularWeight: 478.60808

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)SC=C2

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)SC=C2

InChI

InChI=1S/C20H22N4O4S3/c1-22-19(26)16-7-12-29-18(16)21-20(22)30-13-17(25)23-8-10-24(11-9-23)31(27,28)14-15-5-3-2-4-6-15/h2-7,12H,8-11,13-14H2,1H3