(phenylmethyl) 4-[[(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)amino]methyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)amino]methyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[[(2-chloro-5-fluoro-pyrimidin-4-yl)amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[(2-chloro-5-fluoro-4-pyrimidinyl)amino]methyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[(2-chloro-5-fluoro-pyrimidin-4-yl)amino]methyl]piperidine-1-carboxylic acid benzyl ester Formula: C18H20ClFN4O2 MolecularWeight: 378.828403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC2=NC(=NC=C2F)Cl)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1CNC2=NC(=NC=C2F)Cl)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H20ClFN4O2/c19-17-22-11-15(20)16(23-17)21-10-13-6-8-24(9-7-13)18(25)26-12-14-4-2-1-3-5-14/h1-5,11,13H,6-10,12H2,(H,21,22,23)