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

Systemtic Name: dimethyl-[2-[[5-(2-methylpropyl)-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethyl]azanium Openeye Name: 2-[(4-hydroxy-5-isobutyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl-dimethyl-ammonium CAS Name: 2-[[4-hydroxy-5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]thio]ethyl-dimethylammonium IUPAC Name: 2-[[4-hydroxy-5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]ethyl-dimethylazanium Traditional Name: 2-[(4-hydroxy-5-isobutyl-6-keto-1H-pyrimidin-2-yl)thio]ethyl-dimethyl-ammonium Formula: C12H22N3O2S+ MolecularWeight: 272.38698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(N=C(NC1=O)SCC[NH+](C)C)O

Isomeric SMILES

CC(C)CC1=C(N=C(NC1=O)SCC[NH+](C)C)O

InChI

InChI=1S/C12H21N3O2S/c1-8(2)7-9-10(16)13-12(14-11(9)17)18-6-5-15(3)4/h8H,5-7H2,1-4H3,(H2,13,14,16,17)/p+1