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

Systemtic Name: cyclobutyl 4-[[[6-[(2-fluoranyl-4-methylsulfonyl-phenyl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate Openeye Name: cyclobutyl 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 cyclobutyl ester IUPAC Name: cyclobutyl 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 cyclobutyl ester Formula: C23H30FN5O4S MolecularWeight: 491.578803

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCN(CC1)C(=O)OC2CCC2)C3=NC=NC(=C3)NC4=C(C=C(C=C4)S(=O)(=O)C)F

Isomeric SMILES

CN(CC1CCN(CC1)C(=O)OC2CCC2)C3=NC=NC(=C3)NC4=C(C=C(C=C4)S(=O)(=O)C)F

InChI

InChI=1S/C23H30FN5O4S/c1-28(14-16-8-10-29(11-9-16)23(30)33-17-4-3-5-17)22-13-21(25-15-26-22)27-20-7-6-18(12-19(20)24)34(2,31)32/h6-7,12-13,15-17H,3-5,8-11,14H2,1-2H3,(H,25,26,27)