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

Systemtic Name: 2-[2-(diethylazaniumyl)ethylsulfanyl]-5-hexyl-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-[2-(diethylammonio)ethylsulfanyl]-5-hexyl-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[2-(diethylammonio)ethylthio]-5-hexyl-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-[2-(diethylazaniumyl)ethylsulfanyl]-5-hexyl-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-[2-(diethylammonio)ethylthio]-5-hexyl-6-keto-1H-pyrimidin-4-olate Formula: C16H29N3O2S MolecularWeight: 327.48536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H29N3O2S/c1-4-7-8-9-10-13-14(20)17-16(18-15(13)21)22-12-11-19(5-2)6-3/h4-12H2,1-3H3,(H2,17,18,20,21)