3-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-methyl-2-[[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]thio]-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]sulfanyl-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(4-mesylpiperazino)ethyl]thio]-3-methyl-6-phenyl-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)C)SC(=C2)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4S3/c1-22-19(26)15-12-16(14-6-4-3-5-7-14)30-18(15)21-20(22)29-13-17(25)23-8-10-24(11-9-23)31(2,27)28/h3-7,12H,8-11,13H2,1-2H3