(phenylmethyl) 4-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[(4,5-dimethyl-2-pyrimidinyl)amino]methyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid benzyl ester Formula: C20H26N4O2 MolecularWeight: 354.44604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C)NCC2CCN(CC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CN=C(N=C1C)NCC2CCN(CC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O2/c1-15-12-21-19(23-16(15)2)22-13-17-8-10-24(11-9-17)20(25)26-14-18-6-4-3-5-7-18/h3-7,12,17H,8-11,13-14H2,1-2H3,(H,21,22,23)