dimethyl-[2-[[5-(3-methylbutyl)-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethyl]azanium

Systemtic Name: dimethyl-[2-[[5-(3-methylbutyl)-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethyl]azanium Openeye Name: 2-[(4-hydroxy-5-isopentyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl-dimethyl-ammonium CAS Name: 2-[[4-hydroxy-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]thio]ethyl-dimethylammonium IUPAC Name: 2-[[4-hydroxy-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]ethyl-dimethylazanium Traditional Name: 2-[(4-hydroxy-5-isoamyl-6-keto-1H-pyrimidin-2-yl)thio]ethyl-dimethyl-ammonium Formula: C13H24N3O2S+ MolecularWeight: 286.41356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(N=C(NC1=O)SCC[NH+](C)C)O

Isomeric SMILES

CC(C)CCC1=C(N=C(NC1=O)SCC[NH+](C)C)O

InChI

InChI=1S/C13H23N3O2S/c1-9(2)5-6-10-11(17)14-13(15-12(10)18)19-8-7-16(3)4/h9H,5-8H2,1-4H3,(H2,14,15,17,18)/p+1