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

Systemtic Name: (5E)-1-[(4-fluorophenyl)methyl]-5-[(2-morpholin-4-ium-4-ylethylamino)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-[(4-fluorophenyl)methyl]-5-[(2-morpholin-4-ium-4-ylethylamino)methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-1-[(4-fluorophenyl)methyl]-5-[[2-(4-morpholin-4-iumyl)ethylamino]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-1-[(4-fluorophenyl)methyl]-5-[(2-morpholin-4-ium-4-ylethylamino)methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-1-(4-fluorobenzyl)-6-keto-5-[(2-morpholin-4-ium-4-ylethylamino)methylene]-2-thioxo-pyrimidin-4-olate Formula: C18H21FN4O3S MolecularWeight: 392.447743

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC=C2C(=NC(=S)N(C2=O)CC3=CC=C(C=C3)F)[O-]

Isomeric SMILES

C1COCC[NH+]1CCN/C=C/2\C(=NC(=S)N(C2=O)CC3=CC=C(C=C3)F)[O-]

InChI

InChI=1S/C18H21FN4O3S/c19-14-3-1-13(2-4-14)12-23-17(25)15(16(24)21-18(23)27)11-20-5-6-22-7-9-26-10-8-22/h1-4,11,20H,5-10,12H2,(H,21,24,27)/b15-11+