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

Systemtic Name: propan-2-yl 4-[[[6-[(2-fluoranyl-4-methylsulfonyl-phenyl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-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 isopropyl ester Formula: C22H30FN5O4S MolecularWeight: 479.568103

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H30FN5O4S/c1-15(2)32-22(29)28-9-7-16(8-10-28)13-27(3)21-12-20(24-14-25-21)26-19-6-5-17(11-18(19)23)33(4,30)31/h5-6,11-12,14-16H,7-10,13H2,1-4H3,(H,24,25,26)