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

Systemtic Name: 2-[2-(diethylazaniumyl)ethylsulfanyl]-6-oxidanylidene-5-propyl-1H-pyrimidin-4-olate Openeye Name: 2-[2-(diethylammonio)ethylsulfanyl]-6-oxo-5-propyl-1H-pyrimidin-4-olate CAS Name: 2-[2-(diethylammonio)ethylthio]-6-oxo-5-propyl-1H-pyrimidin-4-olate IUPAC Name: 2-[2-(diethylazaniumyl)ethylsulfanyl]-6-oxo-5-propyl-1H-pyrimidin-4-olate Traditional Name: 2-[2-(diethylammonio)ethylthio]-6-keto-5-propyl-1H-pyrimidin-4-olate Formula: C13H23N3O2S MolecularWeight: 285.40562

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(NC1=O)SCC[NH+](CC)CC)[O-]

Isomeric SMILES

CCCC1=C(N=C(NC1=O)SCC[NH+](CC)CC)[O-]

InChI

InChI=1S/C13H23N3O2S/c1-4-7-10-11(17)14-13(15-12(10)18)19-9-8-16(5-2)6-3/h4-9H2,1-3H3,(H2,14,15,17,18)