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

Systemtic Name: 2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H20N5O3S2+ MolecularWeight: 454.5452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O3S2/c27-20-19-16(17-2-1-11-30-17)13-31-21(19)23-18(22-20)12-24-7-9-25(10-8-24)14-3-5-15(6-4-14)26(28)29/h1-6,11,13H,7-10,12H2,(H,22,23,27)/p+1