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

Systemtic Name: 5,6-dimethyl-2-[[4-(2-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[[4-(2-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[4-(2-methyl-3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[[4-(2-methyl-3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[[4-(2-methyl-3-nitro-phenyl)sulfonylpiperazino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H23N5O5S2 MolecularWeight: 477.55712

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=CC(=C4C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4C)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N5O5S2/c1-12-14(3)31-20-18(12)19(26)21-17(22-20)11-23-7-9-24(10-8-23)32(29,30)16-6-4-5-15(13(16)2)25(27)28/h4-6H,7-11H2,1-3H3,(H,21,22,26)