(5E)-1-[(4-fluorophenyl)methyl]-6-oxidanylidene-5-[(piperidin-1-ium-1-ylamino)methylidene]-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-1-[(4-fluorophenyl)methyl]-6-oxidanylidene-5-[(piperidin-1-ium-1-ylamino)methylidene]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-[(4-fluorophenyl)methyl]-6-oxo-5-[(piperidin-1-ium-1-ylamino)methylene]-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-1-[(4-fluorophenyl)methyl]-6-oxo-5-[(1-piperidin-1-iumylamino)methylidene]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-1-[(4-fluorophenyl)methyl]-6-oxo-5-[(piperidin-1-ium-1-ylamino)methylidene]-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-1-(4-fluorobenzyl)-6-keto-5-[(piperidin-1-ium-1-ylamino)methylene]-2-thioxo-pyrimidin-4-olate Formula: C17H19FN4O2S MolecularWeight: 362.421763

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)NC=C2C(=NC(=S)N(C2=O)CC3=CC=C(C=C3)F)[O-]

Isomeric SMILES

C1CC[NH+](CC1)N/C=C/2\C(=NC(=S)N(C2=O)CC3=CC=C(C=C3)F)[O-]

InChI

InChI=1S/C17H19FN4O2S/c18-13-6-4-12(5-7-13)11-22-16(24)14(15(23)20-17(22)25)10-19-21-8-2-1-3-9-21/h4-7,10,19H,1-3,8-9,11H2,(H,20,23,25)/b14-10+