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

Systemtic Name: (4-methylphenyl)methyl 4-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate Openeye Name: p-tolylmethyl 4-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[(4,5-dimethyl-2-pyrimidinyl)amino]methyl]-1-piperidinecarboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 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 (4-methylbenzyl) ester Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)N2CCC(CC2)CNC3=NC=C(C(=N3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)N2CCC(CC2)CNC3=NC=C(C(=N3)C)C

InChI

InChI=1S/C21H28N4O2/c1-15-4-6-19(7-5-15)14-27-21(26)25-10-8-18(9-11-25)13-23-20-22-12-16(2)17(3)24-20/h4-7,12,18H,8-11,13-14H2,1-3H3,(H,22,23,24)