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

Systemtic Name: 2-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[4-(3-nitrophenyl)sulfonylpiperazino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C17H17N5O5S2 MolecularWeight: 435.47738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC(=O)C3=C(N2)C=CS3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=NC(=O)C3=C(N2)C=CS3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O5S2/c23-17-16-14(4-9-28-16)18-15(19-17)11-20-5-7-21(8-6-20)29(26,27)13-3-1-2-12(10-13)22(24)25/h1-4,9-10H,5-8,11H2,(H,18,19,23)