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

Systemtic Name: 2-(5-butyl-6-oxidanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylethyl-diethyl-azanium Openeye Name: 2-(5-butyl-6-hydroxy-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanylethyl-diethyl-ammonium CAS Name: 2-[(5-butyl-6-hydroxy-4-oxo-1-phenyl-2-pyrimidinyl)thio]ethyl-diethylammonium IUPAC Name: 2-(5-butyl-6-hydroxy-4-oxo-1-phenylpyrimidin-2-yl)sulfanylethyl-diethylazanium Traditional Name: 2-[(5-butyl-6-hydroxy-4-keto-1-phenyl-pyrimidin-2-yl)thio]ethyl-diethyl-ammonium Formula: C20H30N3O2S+ MolecularWeight: 376.5361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=NC1=O)SCC[NH+](CC)CC)C2=CC=CC=C2)O

Isomeric SMILES

CCCCC1=C(N(C(=NC1=O)SCC[NH+](CC)CC)C2=CC=CC=C2)O

InChI

InChI=1S/C20H29N3O2S/c1-4-7-13-17-18(24)21-20(26-15-14-22(5-2)6-3)23(19(17)25)16-11-9-8-10-12-16/h8-12,25H,4-7,13-15H2,1-3H3/p+1