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

Systemtic Name: (5E)-1-[(4-fluorophenyl)methyl]-6-oxidanylidene-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-[(4-fluorophenyl)methyl]-6-oxo-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-1-[(4-fluorophenyl)methyl]-6-oxo-5-[[2-(1-piperidin-1-iumyl)ethylamino]methylidene]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-1-[(4-fluorophenyl)methyl]-6-oxo-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-1-(4-fluorobenzyl)-6-keto-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]-2-thioxo-pyrimidin-4-olate Formula: C19H23FN4O2S MolecularWeight: 390.474923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23FN4O2S/c20-15-6-4-14(5-7-15)13-24-18(26)16(17(25)22-19(24)27)12-21-8-11-23-9-2-1-3-10-23/h4-7,12,21H,1-3,8-11,13H2,(H,22,25,27)/b16-12+