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

Systemtic Name: 2-(5-butyl-6-oxidanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylethyl-dimethyl-azanium Openeye Name: 2-(5-butyl-6-hydroxy-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanylethyl-dimethyl-ammonium CAS Name: 2-[(5-butyl-6-hydroxy-4-oxo-1-phenyl-2-pyrimidinyl)thio]ethyl-dimethylammonium IUPAC Name: 2-(5-butyl-6-hydroxy-4-oxo-1-phenylpyrimidin-2-yl)sulfanylethyl-dimethylazanium Traditional Name: 2-[(5-butyl-6-hydroxy-4-keto-1-phenyl-pyrimidin-2-yl)thio]ethyl-dimethyl-ammonium Formula: C18H26N3O2S+ MolecularWeight: 348.48294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O2S/c1-4-5-11-15-16(22)19-18(24-13-12-20(2)3)21(17(15)23)14-9-7-6-8-10-14/h6-10,23H,4-5,11-13H2,1-3H3/p+1