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

Systemtic Name: 5-[[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[4-(4-methyl-1-piperazinyl)-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[4-(4-methylpiperazino)-3-nitro-benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H17N5O4S MolecularWeight: 375.40228

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C=C3C(=O)NC(=S)NC3=O)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C=C3C(=O)NC(=S)NC3=O)[N+](=O)[O-]

InChI

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