(phenylmethyl) 4-[[(6-chloranylpyrimidin-4-yl)amino]methyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[(6-chloranylpyrimidin-4-yl)amino]methyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[[(6-chloropyrimidin-4-yl)amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[(6-chloro-4-pyrimidinyl)amino]methyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[(6-chloropyrimidin-4-yl)amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[(6-chloropyrimidin-4-yl)amino]methyl]piperidine-1-carboxylic acid benzyl ester Formula: C18H21ClN4O2 MolecularWeight: 360.83794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC2=CC(=NC=N2)Cl)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1CNC2=CC(=NC=N2)Cl)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H21ClN4O2/c19-16-10-17(22-13-21-16)20-11-14-6-8-23(9-7-14)18(24)25-12-15-4-2-1-3-5-15/h1-5,10,13-14H,6-9,11-12H2,(H,20,21,22)