1-[(4-fluorophenyl)methyl]-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC=C2C(=NC(=S)N(C2=O)CC3=CC=C(C=C3)F)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)NC=C2C(=NC(=S)N(C2=O)CC3=CC=C(C=C3)F)[O-]

InChI

InChI=1S/C17H20FN5O2S/c1-21-6-8-22(9-7-21)19-10-14-15(24)20-17(26)23(16(14)25)11-12-2-4-13(18)5-3-12/h2-5,10,19H,6-9,11H2,1H3,(H,20,24,26)