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

Systemtic Name: diethyl-[2-[[5-(3-methylbutyl)-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethyl]azanium Openeye Name: diethyl-[2-[(4-hydroxy-5-isopentyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]ammonium CAS Name: diethyl-[2-[[4-hydroxy-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]thio]ethyl]ammonium IUPAC Name: diethyl-[2-[[4-hydroxy-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]ethyl]azanium Traditional Name: diethyl-[2-[(4-hydroxy-5-isoamyl-6-keto-1H-pyrimidin-2-yl)thio]ethyl]ammonium Formula: C15H28N3O2S+ MolecularWeight: 314.46672

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1=NC(=C(C(=O)N1)CCC(C)C)O

Isomeric SMILES

CC[NH+](CC)CCSC1=NC(=C(C(=O)N1)CCC(C)C)O

InChI

InChI=1S/C15H27N3O2S/c1-5-18(6-2)9-10-21-15-16-13(19)12(14(20)17-15)8-7-11(3)4/h11H,5-10H2,1-4H3,(H2,16,17,19,20)/p+1