5-[[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[2-(4-methyl-1-piperazin-4-iumyl)-5-nitrophenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[2-(4-methylpiperazin-4-ium-1-yl)-5-nitrophenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H18N5O4S+ MolecularWeight: 376.41022

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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)NC3=O

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=C3C(=O)NC(=S)NC3=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)/p+1