(5E)-1-(4-fluorophenyl)-6-oxidanylidene-5-[(2-piperazin-1-ium-1-ylethylamino)methylidene]-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-1-(4-fluorophenyl)-6-oxidanylidene-5-[(2-piperazin-1-ium-1-ylethylamino)methylidene]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-(4-fluorophenyl)-6-oxo-5-[(2-piperazin-1-ium-1-ylethylamino)methylene]-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-1-(4-fluorophenyl)-6-oxo-5-[[2-(1-piperazin-1-iumyl)ethylamino]methylidene]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-1-(4-fluorophenyl)-6-oxo-5-[(2-piperazin-1-ium-1-ylethylamino)methylidene]-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-1-(4-fluorophenyl)-6-keto-5-[(2-piperazin-1-ium-1-ylethylamino)methylene]-2-thioxo-pyrimidin-4-olate Formula: C17H20FN5O2S MolecularWeight: 377.436403

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN1)CCNC=C2C(=NC(=S)N(C2=O)C3=CC=C(C=C3)F)[O-]

Isomeric SMILES

C1C[NH+](CCN1)CCN/C=C/2\C(=NC(=S)N(C2=O)C3=CC=C(C=C3)F)[O-]

InChI

InChI=1S/C17H20FN5O2S/c18-12-1-3-13(4-2-12)23-16(25)14(15(24)21-17(23)26)11-20-7-10-22-8-5-19-6-9-22/h1-4,11,19-20H,5-10H2,(H,21,24,26)/b14-11+