(5E)-5-[[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-5-[[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-5-[[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-5-[[2-(4-methyl-1-piperazin-4-iumyl)-5-nitrophenyl]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-5-[[2-(4-methylpiperazin-4-ium-1-yl)-5-nitrophenyl]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-6-keto-5-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzylidene]-2-thioxo-pyrimidin-4-olate Formula: C16H17N5O4S MolecularWeight: 375.40228

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=C3C(=O)NC(=S)N=C3[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])/C=C\3/C(=O)NC(=S)N=C3[O-]

InChI

InChI=1S/C16H17N5O4S/c1-19-4-6-20(7-5-19)13-3-2-11(21(24)25)8-10(13)9-12-14(22)17-16(26)18-15(12)23/h2-3,8-9H,4-7H2,1H3,(H2,17,18,22,23,26)