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

Systemtic Name: diethyl-[2-(6-oxidanyl-4-oxidanylidene-5-pentyl-1-phenyl-pyrimidin-2-yl)sulfanylethyl]azanium chloride Openeye Name: diethyl-[2-(6-hydroxy-4-oxo-5-pentyl-1-phenyl-pyrimidin-2-yl)sulfanylethyl]ammonium chloride CAS Name: diethyl-[2-[(6-hydroxy-4-oxo-5-pentyl-1-phenyl-2-pyrimidinyl)thio]ethyl]ammonium chloride IUPAC Name: diethyl-[2-(6-hydroxy-4-oxo-5-pentyl-1-phenylpyrimidin-2-yl)sulfanylethyl]azanium chloride Traditional Name: 2-[(5-amyl-6-hydroxy-4-keto-1-phenyl-pyrimidin-2-yl)thio]ethyl-diethyl-ammonium chloride Formula: C21H32ClN3O2S MolecularWeight: 426.01568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O2S.ClH/c1-4-7-9-14-18-19(25)22-21(27-16-15-23(5-2)6-3)24(20(18)26)17-12-10-8-11-13-17;/h8,10-13,26H,4-7,9,14-16H2,1-3H3;1H