(4-propan-2-ylphenyl)methyl 4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate

Systemtic Name: (4-propan-2-ylphenyl)methyl 4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate Openeye Name: (4-isopropylphenyl)methyl 4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate CAS Name: 4-[(2-pyrimidinylamino)methyl]-1-piperidinecarboxylic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl 4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate Traditional Name: 4-[(2-pyrimidylamino)methyl]piperidine-1-carboxylic acid (4-isopropylbenzyl) ester Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2/c1-16(2)19-6-4-18(5-7-19)15-27-21(26)25-12-8-17(9-13-25)14-24-20-22-10-3-11-23-20/h3-7,10-11,16-17H,8-9,12-15H2,1-2H3,(H,22,23,24)