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

Systemtic Name: butyl 4-[[[6-[(4-cyano-2-fluoranyl-phenyl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate Openeye Name: 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 butyl ester IUPAC Name: 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 butyl ester Formula: C23H29FN6O2 MolecularWeight: 440.513763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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