diethyl-[2-[6-oxidanyl-4-oxidanylidene-1-(phenylcarbonyl)-5-propyl-pyrimidin-2-yl]sulfanylethyl]azanium chloride

Systemtic Name: diethyl-[2-[6-oxidanyl-4-oxidanylidene-1-(phenylcarbonyl)-5-propyl-pyrimidin-2-yl]sulfanylethyl]azanium chloride Openeye Name: 2-(1-benzoyl-6-hydroxy-4-oxo-5-propyl-pyrimidin-2-yl)sulfanylethyl-diethyl-ammonium chloride CAS Name: 2-[(1-benzoyl-6-hydroxy-4-oxo-5-propyl-2-pyrimidinyl)thio]ethyl-diethylammonium chloride IUPAC Name: 2-(1-benzoyl-6-hydroxy-4-oxo-5-propylpyrimidin-2-yl)sulfanylethyl-diethylazanium chloride Traditional Name: 2-[(1-benzoyl-6-hydroxy-4-keto-5-propyl-pyrimidin-2-yl)thio]ethyl-diethyl-ammonium chloride Formula: C20H28ClN3O3S MolecularWeight: 425.97262

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C(=NC1=O)SCC[NH+](CC)CC)C(=O)C2=CC=CC=C2)O.[Cl-]

Isomeric SMILES

CCCC1=C(N(C(=NC1=O)SCC[NH+](CC)CC)C(=O)C2=CC=CC=C2)O.[Cl-]

InChI

InChI=1S/C20H27N3O3S.ClH/c1-4-10-16-17(24)21-20(27-14-13-22(5-2)6-3)23(19(16)26)18(25)15-11-8-7-9-12-15;/h7-9,11-12,26H,4-6,10,13-14H2,1-3H3;1H