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

Systemtic Name: 2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C24H25N4OS+ MolecularWeight: 417.5465

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C24H24N4OS/c1-17-7-5-6-10-20(17)28-13-11-27(12-14-28)16-22-25-23(29)19-15-21(30-24(19)26-22)18-8-3-2-4-9-18/h2-10,15H,11-14,16H2,1H3,(H,25,26,29)/p+1