2-[2-(dimethylazaniumyl)ethylsulfanyl]-5-(3-methylbutyl)-6-oxidanylidene-1H-pyrimidin-4-olate

Systemtic Name: 2-[2-(dimethylazaniumyl)ethylsulfanyl]-5-(3-methylbutyl)-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-[2-(dimethylammonio)ethylsulfanyl]-5-isopentyl-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[2-(dimethylammonio)ethylthio]-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-[2-(dimethylazaniumyl)ethylsulfanyl]-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-[2-(dimethylammonio)ethylthio]-5-isoamyl-6-keto-1H-pyrimidin-4-olate Formula: C13H23N3O2S MolecularWeight: 285.40562

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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)