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

Systemtic Name: tert-butyl 4-[[[6-[(5-fluoranylpyridin-2-yl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[6-[(5-fluoro-2-pyridyl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[6-[(5-fluoro-2-pyridinyl)amino]-4-pyrimidinyl]-methylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[6-[(5-fluoropyridin-2-yl)amino]pyrimidin-4-yl]-methylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[6-[(5-fluoro-2-pyridyl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H29FN6O2 MolecularWeight: 416.492363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29FN6O2/c1-21(2,3)30-20(29)28-9-7-15(8-10-28)13-27(4)19-11-18(24-14-25-19)26-17-6-5-16(22)12-23-17/h5-6,11-12,14-15H,7-10,13H2,1-4H3,(H,23,24,25,26)