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

Systemtic Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C25H27N4OS+ MolecularWeight: 431.57308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4OS/c1-17-7-6-10-21(18(17)2)29-13-11-28(12-14-29)15-22-26-24(30)23-20(16-31-25(23)27-22)19-8-4-3-5-9-19/h3-10,16H,11-15H2,1-2H3,(H,26,27,30)/p+1