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

Systemtic Name: tert-butyl 4-[[[6-[(2-fluoranyl-4-methylsulfonyl-phenyl)-methyl-amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[6-(2-fluoro-N-methyl-4-methylsulfonyl-anilino)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[6-(2-fluoro-N-methyl-4-methylsulfonylanilino)-4-pyrimidinyl]-methylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[6-(2-fluoro-N-methyl-4-methylsulfonylanilino)pyrimidin-4-yl]-methylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[6-(2-fluoro-4-mesyl-N-methyl-anilino)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H34FN5O4S MolecularWeight: 507.621263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34FN5O4S/c1-24(2,3)34-23(31)30-11-9-17(10-12-30)15-28(4)21-14-22(27-16-26-21)29(5)20-8-7-18(13-19(20)25)35(6,32)33/h7-8,13-14,16-17H,9-12,15H2,1-6H3