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

Systemtic Name: 2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-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]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-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=C(S4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC4=C(C=C(S4)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)16-22-25-23(29)20-15-21(32-24(20)26-22)18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3,(H,25,26,29)/p+1