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

Systemtic Name: diethyl-[2-(5-heptyl-6-oxidanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylethyl]azanium chloride Openeye Name: diethyl-[2-(5-heptyl-6-hydroxy-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanylethyl]ammonium chloride CAS Name: diethyl-[2-[(5-heptyl-6-hydroxy-4-oxo-1-phenyl-2-pyrimidinyl)thio]ethyl]ammonium chloride IUPAC Name: diethyl-[2-(5-heptyl-6-hydroxy-4-oxo-1-phenylpyrimidin-2-yl)sulfanylethyl]azanium chloride Traditional Name: diethyl-[2-[(5-heptyl-6-hydroxy-4-keto-1-phenyl-pyrimidin-2-yl)thio]ethyl]ammonium chloride Formula: C23H36ClN3O2S MolecularWeight: 454.06884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(N(C(=NC1=O)SCC[NH+](CC)CC)C2=CC=CC=C2)O.[Cl-]

Isomeric SMILES

CCCCCCCC1=C(N(C(=NC1=O)SCC[NH+](CC)CC)C2=CC=CC=C2)O.[Cl-]

InChI

InChI=1S/C23H35N3O2S.ClH/c1-4-7-8-9-13-16-20-21(27)24-23(29-18-17-25(5-2)6-3)26(22(20)28)19-14-11-10-12-15-19;/h10-12,14-15,28H,4-9,13,16-18H2,1-3H3;1H