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

Systemtic Name: diethyl-[2-[6-oxidanyl-4-oxidanylidene-5-pentyl-1-(phenylcarbonyl)pyrimidin-2-yl]sulfanylethyl]azanium chloride Openeye Name: 2-(1-benzoyl-6-hydroxy-4-oxo-5-pentyl-pyrimidin-2-yl)sulfanylethyl-diethyl-ammonium chloride CAS Name: 2-[(1-benzoyl-6-hydroxy-4-oxo-5-pentyl-2-pyrimidinyl)thio]ethyl-diethylammonium chloride IUPAC Name: 2-(1-benzoyl-6-hydroxy-4-oxo-5-pentylpyrimidin-2-yl)sulfanylethyl-diethylazanium chloride Traditional Name: 2-[(5-amyl-1-benzoyl-6-hydroxy-4-keto-pyrimidin-2-yl)thio]ethyl-diethyl-ammonium chloride Formula: C22H32ClN3O3S MolecularWeight: 454.02578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N(C(=NC1=O)SCC[NH+](CC)CC)C(=O)C2=CC=CC=C2)O.[Cl-]

Isomeric SMILES

CCCCCC1=C(N(C(=NC1=O)SCC[NH+](CC)CC)C(=O)C2=CC=CC=C2)O.[Cl-]

InChI

InChI=1S/C22H31N3O3S.ClH/c1-4-7-9-14-18-19(26)23-22(29-16-15-24(5-2)6-3)25(21(18)28)20(27)17-12-10-8-11-13-17;/h8,10-13,28H,4-7,9,14-16H2,1-3H3;1H