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

Systemtic Name: tert-butyl 4-[[[6-[(2-fluoranyl-4-methylsulfonyl-phenyl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[6-(2-fluoro-4-methylsulfonyl-anilino)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[6-(2-fluoro-4-methylsulfonylanilino)-4-pyrimidinyl]-methylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[6-(2-fluoro-4-methylsulfonylanilino)pyrimidin-4-yl]-methylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[6-(2-fluoro-4-mesyl-anilino)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H32FN5O4S MolecularWeight: 493.594683

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H32FN5O4S/c1-23(2,3)33-22(30)29-10-8-16(9-11-29)14-28(4)21-13-20(25-15-26-21)27-19-7-6-17(12-18(19)24)34(5,31)32/h6-7,12-13,15-16H,8-11,14H2,1-5H3,(H,25,26,27)