pentan-3-yl 4-[[[6-[(2-fluoranyl-4-methylsulfonyl-phenyl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate

Systemtic Name: pentan-3-yl 4-[[[6-[(2-fluoranyl-4-methylsulfonyl-phenyl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate Openeye Name: 1-ethylpropyl 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 pentan-3-yl ester IUPAC Name: pentan-3-yl 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 1-ethylpropyl ester Formula: C24H34FN5O4S MolecularWeight: 507.621263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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