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

Systemtic Name: 2-[2-(dimethylazaniumyl)ethylsulfanyl]-5-hexyl-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-[2-(dimethylammonio)ethylsulfanyl]-5-hexyl-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[2-(dimethylammonio)ethylthio]-5-hexyl-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-[2-(dimethylazaniumyl)ethylsulfanyl]-5-hexyl-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-[2-(dimethylammonio)ethylthio]-5-hexyl-6-keto-1H-pyrimidin-4-olate Formula: C14H25N3O2S MolecularWeight: 299.4322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N=C(NC1=O)SCC[NH+](C)C)[O-]

Isomeric SMILES

CCCCCCC1=C(N=C(NC1=O)SCC[NH+](C)C)[O-]

InChI

InChI=1S/C14H25N3O2S/c1-4-5-6-7-8-11-12(18)15-14(16-13(11)19)20-10-9-17(2)3/h4-10H2,1-3H3,(H2,15,16,18,19)