tert-butyl 4-[[methyl-[6-[(4-methylsulfonylphenyl)amino]pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[methyl-[6-[(4-methylsulfonylphenyl)amino]pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[methyl-[6-(4-methylsulfonylanilino)pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[methyl-[6-(4-methylsulfonylanilino)-4-pyrimidinyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[methyl-[6-(4-methylsulfonylanilino)pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[6-(4-mesylanilino)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H33N5O4S MolecularWeight: 475.60422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N5O4S/c1-23(2,3)32-22(29)28-12-10-17(11-13-28)15-27(4)21-14-20(24-16-25-21)26-18-6-8-19(9-7-18)33(5,30)31/h6-9,14,16-17H,10-13,15H2,1-5H3,(H,24,25,26)