2-(5-cyano-1,2-dimethyl-4-methylsulfanyl-6-oxidanylidene-pyrimidin-1-ium-1-yl)ethanoate

Systemtic Name: 2-(5-cyano-1,2-dimethyl-4-methylsulfanyl-6-oxidanylidene-pyrimidin-1-ium-1-yl)ethanoate Openeye Name: 2-(5-cyano-1,2-dimethyl-4-methylsulfanyl-6-oxo-pyrimidin-1-ium-1-yl)acetate CAS Name: 2-[5-cyano-1,2-dimethyl-4-(methylthio)-6-oxo-1-pyrimidin-1-iumyl]acetate IUPAC Name: 2-(5-cyano-1,2-dimethyl-4-methylsulfanyl-6-oxopyrimidin-1-ium-1-yl)acetate Traditional Name: 2-[5-cyano-6-keto-1,2-dimethyl-4-(methylthio)pyrimidin-1-ium-1-yl]acetate Formula: C10H11N3O3S MolecularWeight: 253.27764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)[N+]1(C)CC(=O)[O-])C#N)SC

Isomeric SMILES

CC1=NC(=C(C(=O)[N+]1(C)CC(=O)[O-])C#N)SC

InChI

InChI=1S/C10H11N3O3S/c1-6-12-9(17-3)7(4-11)10(16)13(6,2)5-8(14)15/h5H2,1-3H3