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

Systemtic Name: 2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-phenyl-2-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-phenyl-2-[(4-tosylpiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C24H25N4O3S2+ MolecularWeight: 481.6103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C24H24N4O3S2/c1-17-7-9-19(10-8-17)33(30,31)28-13-11-27(12-14-28)15-21-25-23(29)22-20(16-32-24(22)26-21)18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3,(H,25,26,29)/p+1