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

Systemtic Name: tert-butyl 4-[[[6-[(2-fluorophenyl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[6-(2-fluoroanilino)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[6-(2-fluoroanilino)-4-pyrimidinyl]-methylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[6-(2-fluoroanilino)pyrimidin-4-yl]-methylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[6-(2-fluoroanilino)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H30FN5O2 MolecularWeight: 415.504303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN(C)C2=NC=NC(=C2)NC3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN(C)C2=NC=NC(=C2)NC3=CC=CC=C3F

InChI

InChI=1S/C22H30FN5O2/c1-22(2,3)30-21(29)28-11-9-16(10-12-28)14-27(4)20-13-19(24-15-25-20)26-18-8-6-5-7-17(18)23/h5-8,13,15-16H,9-12,14H2,1-4H3,(H,24,25,26)