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

Systemtic Name: propan-2-yl 4-[[[6-[(4-cyano-2-fluoranyl-phenyl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C22H27FN6O2 MolecularWeight: 426.487183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN6O2/c1-15(2)31-22(30)29-8-6-16(7-9-29)13-28(3)21-11-20(25-14-26-21)27-19-5-4-17(12-24)10-18(19)23/h4-5,10-11,14-16H,6-9,13H2,1-3H3,(H,25,26,27)