tert-butyl 4-[[[6-[(2-fluoranyl-4-methyl-phenyl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[[6-[(2-fluoranyl-4-methyl-phenyl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[6-(2-fluoro-4-methyl-anilino)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[6-(2-fluoro-4-methylanilino)-4-pyrimidinyl]-methylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]-methylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[6-(2-fluoro-4-methyl-anilino)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H32FN5O2 MolecularWeight: 429.530883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=CC(=NC=N2)N(C)CC3CCN(CC3)C(=O)OC(C)(C)C)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=CC(=NC=N2)N(C)CC3CCN(CC3)C(=O)OC(C)(C)C)F

InChI

InChI=1S/C23H32FN5O2/c1-16-6-7-19(18(24)12-16)27-20-13-21(26-15-25-20)28(5)14-17-8-10-29(11-9-17)22(30)31-23(2,3)4/h6-7,12-13,15,17H,8-11,14H2,1-5H3,(H,25,26,27)