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

Systemtic Name: tert-butyl 4-[[[6-[(4-cyano-2-fluoranyl-phenyl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[6-(4-cyano-2-fluoro-anilino)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[6-(4-cyano-2-fluoroanilino)-4-pyrimidinyl]-methylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[6-(4-cyano-2-fluoroanilino)pyrimidin-4-yl]-methylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[6-(4-cyano-2-fluoro-anilino)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H29FN6O2 MolecularWeight: 440.513763

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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)C#N)F

Isomeric SMILES

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

InChI

InChI=1S/C23H29FN6O2/c1-23(2,3)32-22(31)30-9-7-16(8-10-30)14-29(4)21-12-20(26-15-27-21)28-19-6-5-17(13-25)11-18(19)24/h5-6,11-12,15-16H,7-10,14H2,1-4H3,(H,26,27,28)