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

Systemtic Name: propan-2-yl 4-[6-[(2-fluoranyl-4-methylsulfonyl-phenyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate Openeye Name: isopropyl 4-[6-(2-fluoro-4-methylsulfonyl-anilino)pyrimidin-4-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[6-(2-fluoro-4-methylsulfonylanilino)-4-pyrimidinyl]oxy]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[6-(2-fluoro-4-methylsulfonylanilino)pyrimidin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[6-(2-fluoro-4-mesyl-anilino)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid isopropyl ester Formula: C20H25FN4O5S MolecularWeight: 452.499703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2)NC3=C(C=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2)NC3=C(C=C(C=C3)S(=O)(=O)C)F

InChI

InChI=1S/C20H25FN4O5S/c1-13(2)29-20(26)25-8-6-14(7-9-25)30-19-11-18(22-12-23-19)24-17-5-4-15(10-16(17)21)31(3,27)28/h4-5,10-14H,6-9H2,1-3H3,(H,22,23,24)