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

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

Systemtic Name:diethyl-[2-(5-hexyl-6-oxidanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylethyl]azanium
Openeye Name:diethyl-[2-(5-hexyl-6-hydroxy-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanylethyl]ammonium
CAS Name:diethyl-[2-[(5-hexyl-6-hydroxy-4-oxo-1-phenyl-2-pyrimidinyl)thio]ethyl]ammonium
IUPAC Name:diethyl-[2-(5-hexyl-6-hydroxy-4-oxo-1-phenylpyrimidin-2-yl)sulfanylethyl]azanium
Traditional Name:diethyl-[2-[(5-hexyl-6-hydroxy-4-keto-1-phenyl-pyrimidin-2-yl)thio]ethyl]ammonium
Formula: C22H34N3O2S+
MolecularWeight: 404.58926
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N(C(=NC1=O)SCC[NH+](CC)CC)C2=CC=CC=C2)O


Isomeric SMILES

CCCCCCC1=C(N(C(=NC1=O)SCC[NH+](CC)CC)C2=CC=CC=C2)O


InChI

InChI=1S/C22H33N3O2S/c1-4-7-8-12-15-19-20(26)23-22(28-17-16-24(5-2)6-3)25(21(19)27)18-13-10-9-11-14-18/h9-11,13-14,27H,4-8,12,15-17H2,1-3H3/p+1


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