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

Systemtic Name: tert-butyl 4-[[[6-[(4-bromanyl-2-fluoranyl-phenyl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[6-(4-bromo-2-fluoro-anilino)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[6-(4-bromo-2-fluoroanilino)-4-pyrimidinyl]-methylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[6-(4-bromo-2-fluoroanilino)pyrimidin-4-yl]-methylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[6-(4-bromo-2-fluoro-anilino)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H29BrFN5O2 MolecularWeight: 494.400363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN(C)C2=NC=NC(=C2)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN(C)C2=NC=NC(=C2)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C22H29BrFN5O2/c1-22(2,3)31-21(30)29-9-7-15(8-10-29)13-28(4)20-12-19(25-14-26-20)27-18-6-5-16(23)11-17(18)24/h5-6,11-12,14-15H,7-10,13H2,1-4H3,(H,25,26,27)