2-(1,4,5,6-tetrahydropyrimidin-3-ium-2-ylsulfanyl)ethanoate

Systemtic Name: 2-(1,4,5,6-tetrahydropyrimidin-3-ium-2-ylsulfanyl)ethanoate Openeye Name: 2-(1,4,5,6-tetrahydropyrimidin-3-ium-2-ylsulfanyl)acetate CAS Name: 2-(1,4,5,6-tetrahydropyrimidin-3-ium-2-ylthio)acetate IUPAC Name: 2-(1,4,5,6-tetrahydropyrimidin-3-ium-2-ylsulfanyl)acetate Traditional Name: 2-(1,4,5,6-tetrahydropyrimidin-3-ium-2-ylthio)acetate Formula: C6H10N2O2S MolecularWeight: 174.2208

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=[NH+]C1)SCC(=O)[O-]

Isomeric SMILES

C1CNC(=[NH+]C1)SCC(=O)[O-]

InChI

InChI=1S/C6H10N2O2S/c9-5(10)4-11-6-7-2-1-3-8-6/h1-4H2,(H,7,8)(H,9,10)