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

Systemtic Name: (5E)-1-butyl-6-oxidanylidene-5-[[(4-piperidin-1-ium-1-ylphenyl)amino]methylidene]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-butyl-6-oxo-5-[(4-piperidin-1-ium-1-ylanilino)methylene]-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-1-butyl-6-oxo-5-[[4-(1-piperidin-1-iumyl)anilino]methylidene]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-1-butyl-6-oxo-5-[(4-piperidin-1-ium-1-ylanilino)methylidene]-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-1-butyl-6-keto-5-[(4-piperidin-1-ium-1-ylanilino)methylene]-2-thioxo-pyrimidin-4-olate Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CNC2=CC=C(C=C2)[NH+]3CCCCC3)C(=NC1=S)[O-]

Isomeric SMILES

CCCCN1C(=O)/C(=C/NC2=CC=C(C=C2)[NH+]3CCCCC3)/C(=NC1=S)[O-]

InChI

InChI=1S/C20H26N4O2S/c1-2-3-13-24-19(26)17(18(25)22-20(24)27)14-21-15-7-9-16(10-8-15)23-11-5-4-6-12-23/h7-10,14,21H,2-6,11-13H2,1H3,(H,22,25,27)/b17-14+