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

Systemtic Name: cyclopropylmethyl 4-[[[6-[(4-cyano-2-fluoranyl-phenyl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate Openeye Name: cyclopropylmethyl 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 cyclopropylmethyl ester IUPAC Name: cyclopropylmethyl 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 cyclopropylmethyl ester Formula: C23H27FN6O2 MolecularWeight: 438.497883

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCN(CC1)C(=O)OCC2CC2)C3=NC=NC(=C3)NC4=C(C=C(C=C4)C#N)F

Isomeric SMILES

CN(CC1CCN(CC1)C(=O)OCC2CC2)C3=NC=NC(=C3)NC4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C23H27FN6O2/c1-29(13-16-6-8-30(9-7-16)23(31)32-14-17-2-3-17)22-11-21(26-15-27-22)28-20-5-4-18(12-25)10-19(20)24/h4-5,10-11,15-17H,2-3,6-9,13-14H2,1H3,(H,26,27,28)