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

Systemtic Name: 2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(4-bromophenyl)sulfonyl-1-piperazinyl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-brosylpiperazino)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H21BrN4O3S2 MolecularWeight: 497.42904

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)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN4O3S2/c1-12-13(2)28-19-17(12)18(25)21-16(22-19)11-23-7-9-24(10-8-23)29(26,27)15-5-3-14(20)4-6-15/h3-6H,7-11H2,1-2H3,(H,21,22,25)