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

Systemtic Name: 5,6-dimethyl-2-[[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[4-(4-methylsulfonylphenyl)sulfonyl-1-piperazinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(4-mesylphenyl)sulfonylpiperazino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H24N4O5S3 MolecularWeight: 496.62336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O5S3/c1-13-14(2)30-20-18(13)19(25)21-17(22-20)12-23-8-10-24(11-9-23)32(28,29)16-6-4-15(5-7-16)31(3,26)27/h4-7H,8-12H2,1-3H3,(H,21,22,25)