5,6-dimethyl-2-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-besylpiperazino)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C19H22N4O3S2/c1-13-14(2)27-19-17(13)18(24)20-16(21-19)12-22-8-10-23(11-9-22)28(25,26)15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3,(H,20,21,24)