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

Systemtic Name: (5E)-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-6-oxidanylidene-1-phenyl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]-6-oxo-1-phenyl-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-5-[[(4-methyl-1-piperazin-4-iumyl)amino]methylidene]-6-oxo-1-phenyl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-6-oxo-1-phenyl-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-6-keto-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]-1-phenyl-2-thioxo-pyrimidin-4-olate Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC=C2C(=NC(=S)N(C2=O)C3=CC=CC=C3)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)N/C=C/2\C(=NC(=S)N(C2=O)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C16H19N5O2S/c1-19-7-9-20(10-8-19)17-11-13-14(22)18-16(24)21(15(13)23)12-5-3-2-4-6-12/h2-6,11,17H,7-10H2,1H3,(H,18,22,24)/b13-11+