2-(5-butyl-6-oxidanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylethyl-diethyl-azanium chloride

Systemtic Name: 2-(5-butyl-6-oxidanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylethyl-diethyl-azanium chloride Openeye Name: 2-(5-butyl-6-hydroxy-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanylethyl-diethyl-ammonium chloride CAS Name: 2-[(5-butyl-6-hydroxy-4-oxo-1-phenyl-2-pyrimidinyl)thio]ethyl-diethylammonium chloride IUPAC Name: 2-(5-butyl-6-hydroxy-4-oxo-1-phenylpyrimidin-2-yl)sulfanylethyl-diethylazanium chloride Traditional Name: 2-[(5-butyl-6-hydroxy-4-keto-1-phenyl-pyrimidin-2-yl)thio]ethyl-diethyl-ammonium chloride Formula: C20H30ClN3O2S MolecularWeight: 411.9891

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=NC1=O)SCC[NH+](CC)CC)C2=CC=CC=C2)O.[Cl-]

Isomeric SMILES

CCCCC1=C(N(C(=NC1=O)SCC[NH+](CC)CC)C2=CC=CC=C2)O.[Cl-]

InChI

InChI=1S/C20H29N3O2S.ClH/c1-4-7-13-17-18(24)21-20(26-15-14-22(5-2)6-3)23(19(17)25)16-11-9-8-10-12-16;/h8-12,25H,4-7,13-15H2,1-3H3;1H