tert-butyl 4-[1-(2-cyano-6-methyl-pyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(2-cyano-6-methyl-pyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[1-(2-cyano-6-methyl-pyrimidin-4-yl)-4-piperidyl]piperidine-1-carboxylate CAS Name: 4-[1-(2-cyano-6-methyl-4-pyrimidinyl)-4-piperidinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(2-cyano-6-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate Traditional Name: 4-[1-(2-cyano-6-methyl-pyrimidin-4-yl)-4-piperidyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H31N5O2 MolecularWeight: 385.50314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C#N)N2CCC(CC2)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=NC(=N1)C#N)N2CCC(CC2)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H31N5O2/c1-15-13-19(24-18(14-22)23-15)25-9-5-16(6-10-25)17-7-11-26(12-8-17)20(27)28-21(2,3)4/h13,16-17H,5-12H2,1-4H3