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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N3O2S/c1-5-16(6-2)7-8-19-13-14-11(17)10(9(3)4)12(18)15-13/h9H,5-8H2,1-4H3,(H2,14,15,17,18)