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

Systemtic Name: 2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C17H18N5O3S+ MolecularWeight: 372.42152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O3S/c23-17-16-14(5-10-26-16)18-15(19-17)11-20-6-8-21(9-7-20)12-1-3-13(4-2-12)22(24)25/h1-5,10H,6-9,11H2,(H,18,19,23)/p+1