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

Systemtic Name: 2-[2-(dimethylazaniumyl)ethylsulfanyl]-6-oxidanylidene-5-propan-2-yl-1H-pyrimidin-4-olate Openeye Name: 2-[2-(dimethylammonio)ethylsulfanyl]-5-isopropyl-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[2-(dimethylammonio)ethylthio]-6-oxo-5-propan-2-yl-1H-pyrimidin-4-olate IUPAC Name: 2-[2-(dimethylazaniumyl)ethylsulfanyl]-6-oxo-5-propan-2-yl-1H-pyrimidin-4-olate Traditional Name: 2-[2-(dimethylammonio)ethylthio]-5-isopropyl-6-keto-1H-pyrimidin-4-olate Formula: C11H19N3O2S MolecularWeight: 257.35246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N=C(NC1=O)SCC[NH+](C)C)[O-]

Isomeric SMILES

CC(C)C1=C(N=C(NC1=O)SCC[NH+](C)C)[O-]

InChI

InChI=1S/C11H19N3O2S/c1-7(2)8-9(15)12-11(13-10(8)16)17-6-5-14(3)4/h7H,5-6H2,1-4H3,(H2,12,13,15,16)