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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29FN6O2/c1-16(2)14-32-23(31)30-8-6-17(7-9-30)13-29(3)22-11-21(26-15-27-22)28-20-5-4-18(12-25)10-19(20)24/h4-5,10-11,15-17H,6-9,13-14H2,1-3H3,(H,26,27,28)