4-[[2-(2-methylsulfanylpyrimidin-4-yl)-2-oxidanyl-ethyl]amino]piperidine-1-carboxylic acid

Systemtic Name: 4-[[2-(2-methylsulfanylpyrimidin-4-yl)-2-oxidanyl-ethyl]amino]piperidine-1-carboxylic acid Openeye Name: 4-[[2-hydroxy-2-(2-methylsulfanylpyrimidin-4-yl)ethyl]amino]piperidine-1-carboxylic acid CAS Name: 4-[[2-hydroxy-2-[2-(methylthio)-4-pyrimidinyl]ethyl]amino]-1-piperidinecarboxylic acid IUPAC Name: 4-[[2-hydroxy-2-(2-methylsulfanylpyrimidin-4-yl)ethyl]amino]piperidine-1-carboxylic acid Traditional Name: 4-[[2-hydroxy-2-[2-(methylthio)pyrimidin-4-yl]ethyl]amino]piperidine-1-carboxylic acid Formula: C13H20N4O3S MolecularWeight: 312.3879

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)C(CNC2CCN(CC2)C(=O)O)O

Isomeric SMILES

CSC1=NC=CC(=N1)C(CNC2CCN(CC2)C(=O)O)O

InChI

InChI=1S/C13H20N4O3S/c1-21-12-14-5-2-10(16-12)11(18)8-15-9-3-6-17(7-4-9)13(19)20/h2,5,9,11,15,18H,3-4,6-8H2,1H3,(H,19,20)