tert-butyl 4-[[[6-[(5-bromanyl-3-methyl-pyridin-2-yl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[[6-[(5-bromanyl-3-methyl-pyridin-2-yl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[6-[(5-bromo-3-methyl-2-pyridyl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[6-[(5-bromo-3-methyl-2-pyridinyl)amino]-4-pyrimidinyl]-methylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[6-[(5-bromo-3-methylpyridin-2-yl)amino]pyrimidin-4-yl]-methylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[6-[(5-bromo-3-methyl-2-pyridyl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H31BrN6O2 MolecularWeight: 491.42454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN=C1NC2=CC(=NC=N2)N(C)CC3CCN(CC3)C(=O)OC(C)(C)C)Br

Isomeric SMILES

CC1=CC(=CN=C1NC2=CC(=NC=N2)N(C)CC3CCN(CC3)C(=O)OC(C)(C)C)Br

InChI

InChI=1S/C22H31BrN6O2/c1-15-10-17(23)12-24-20(15)27-18-11-19(26-14-25-18)28(5)13-16-6-8-29(9-7-16)21(30)31-22(2,3)4/h10-12,14,16H,6-9,13H2,1-5H3,(H,24,25,26,27)