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

Systemtic Name: (5E)-1-hexyl-5-[[(2-morpholin-4-ium-4-ylphenyl)amino]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-hexyl-5-[(2-morpholin-4-ium-4-ylanilino)methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-1-hexyl-5-[[2-(4-morpholin-4-iumyl)anilino]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-1-hexyl-5-[(2-morpholin-4-ium-4-ylanilino)methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-1-hexyl-6-keto-5-[(2-morpholin-4-ium-4-ylanilino)methylene]-2-thioxo-pyrimidin-4-olate Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CNC2=CC=CC=C2[NH+]3CCOCC3)C(=NC1=S)[O-]

Isomeric SMILES

CCCCCCN1C(=O)/C(=C/NC2=CC=CC=C2[NH+]3CCOCC3)/C(=NC1=S)[O-]

InChI

InChI=1S/C21H28N4O3S/c1-2-3-4-7-10-25-20(27)16(19(26)23-21(25)29)15-22-17-8-5-6-9-18(17)24-11-13-28-14-12-24/h5-6,8-9,15,22H,2-4,7,10-14H2,1H3,(H,23,26,29)/b16-15+