1-[(4-fluorophenyl)methyl]-6-oxidanylidene-5-[(3-piperidin-1-ium-1-ylpropylamino)methylidene]-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 1-[(4-fluorophenyl)methyl]-6-oxidanylidene-5-[(3-piperidin-1-ium-1-ylpropylamino)methylidene]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 1-[(4-fluorophenyl)methyl]-6-oxo-5-[(3-piperidin-1-ium-1-ylpropylamino)methylene]-2-thioxo-pyrimidin-4-olate CAS Name: 1-[(4-fluorophenyl)methyl]-6-oxo-5-[[3-(1-piperidin-1-iumyl)propylamino]methylidene]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 1-[(4-fluorophenyl)methyl]-6-oxo-5-[(3-piperidin-1-ium-1-ylpropylamino)methylidene]-2-sulfanylidenepyrimidin-4-olate Traditional Name: 1-(4-fluorobenzyl)-6-keto-5-[(3-piperidin-1-ium-1-ylpropylamino)methylene]-2-thioxo-pyrimidin-4-olate Formula: C20H25FN4O2S MolecularWeight: 404.501503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25FN4O2S/c21-16-7-5-15(6-8-16)14-25-19(27)17(18(26)23-20(25)28)13-22-9-4-12-24-10-2-1-3-11-24/h5-8,13,22H,1-4,9-12,14H2,(H,23,26,28)