(5E)-1-(2-methoxyphenyl)-5-[[(2-morpholin-4-ium-4-ylphenyl)amino]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-1-(2-methoxyphenyl)-5-[[(2-morpholin-4-ium-4-ylphenyl)amino]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-(2-methoxyphenyl)-5-[(2-morpholin-4-ium-4-ylanilino)methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-1-(2-methoxyphenyl)-5-[[2-(4-morpholin-4-iumyl)anilino]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-1-(2-methoxyphenyl)-5-[(2-morpholin-4-ium-4-ylanilino)methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-6-keto-1-(2-methoxyphenyl)-5-[(2-morpholin-4-ium-4-ylanilino)methylene]-2-thioxo-pyrimidin-4-olate Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C(=CNC3=CC=CC=C3[NH+]4CCOCC4)C(=NC2=S)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)/C(=C/NC3=CC=CC=C3[NH+]4CCOCC4)/C(=NC2=S)[O-]

InChI

InChI=1S/C22H22N4O4S/c1-29-19-9-5-4-8-18(19)26-21(28)15(20(27)24-22(26)31)14-23-16-6-2-3-7-17(16)25-10-12-30-13-11-25/h2-9,14,23H,10-13H2,1H3,(H,24,27,31)/b15-14+