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

Systemtic Name: 4-[[(2-methylsulfanylpyrimidin-4-yl)amino]methyl]piperidine-1-carboxylic acid Openeye Name: 4-[[(2-methylsulfanylpyrimidin-4-yl)amino]methyl]piperidine-1-carboxylic acid CAS Name: 4-[[[2-(methylthio)-4-pyrimidinyl]amino]methyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[[(2-methylsulfanylpyrimidin-4-yl)amino]methyl]piperidine-1-carboxylic acid Traditional Name: 4-[[[2-(methylthio)pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylic acid Formula: C12H18N4O2S MolecularWeight: 282.36192

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)NCC2CCN(CC2)C(=O)O

Isomeric SMILES

CSC1=NC=CC(=N1)NCC2CCN(CC2)C(=O)O

InChI

InChI=1S/C12H18N4O2S/c1-19-11-13-5-2-10(15-11)14-8-9-3-6-16(7-4-9)12(17)18/h2,5,9H,3-4,6-8H2,1H3,(H,17,18)(H,13,14,15)