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

Systemtic Name: 2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C19H21N4O3S2+ MolecularWeight: 417.52504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=CS3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3S2/c24-19-18-16(6-12-27-18)20-17(21-19)14-22-8-10-23(11-9-22)28(25,26)13-7-15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2,(H,20,21,24)/p+1/b13-7+