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

Systemtic Name: dimethyl-[2-[(4-oxidanyl-6-oxidanylidene-5-propyl-1H-pyrimidin-2-yl)sulfanyl]ethyl]azanium Openeye Name: 2-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]ethyl-dimethyl-ammonium CAS Name: 2-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)thio]ethyl-dimethylammonium IUPAC Name: 2-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]ethyl-dimethylazanium Traditional Name: 2-[(4-hydroxy-6-keto-5-propyl-1H-pyrimidin-2-yl)thio]ethyl-dimethyl-ammonium Formula: C11H20N3O2S+ MolecularWeight: 258.3604

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(NC1=O)SCC[NH+](C)C)O

Isomeric SMILES

CCCC1=C(N=C(NC1=O)SCC[NH+](C)C)O

InChI

InChI=1S/C11H19N3O2S/c1-4-5-8-9(15)12-11(13-10(8)16)17-7-6-14(2)3/h4-7H2,1-3H3,(H2,12,13,15,16)/p+1