butyl 4-[6-[(4-cyclobutylsulfonyl-2-fluoranyl-phenyl)amino]-5-methyl-pyrimidin-4-yl]oxypiperidine-1-carboxylate

Systemtic Name: butyl 4-[6-[(4-cyclobutylsulfonyl-2-fluoranyl-phenyl)amino]-5-methyl-pyrimidin-4-yl]oxypiperidine-1-carboxylate Openeye Name: butyl 4-[6-(4-cyclobutylsulfonyl-2-fluoro-anilino)-5-methyl-pyrimidin-4-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[6-(4-cyclobutylsulfonyl-2-fluoroanilino)-5-methyl-4-pyrimidinyl]oxy]-1-piperidinecarboxylic acid butyl ester IUPAC Name: butyl 4-[6-(4-cyclobutylsulfonyl-2-fluoroanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[6-(4-cyclobutylsulfonyl-2-fluoro-anilino)-5-methyl-pyrimidin-4-yl]oxypiperidine-1-carboxylic acid butyl ester Formula: C25H33FN4O5S MolecularWeight: 520.616723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1CCC(CC1)OC2=NC=NC(=C2C)NC3=C(C=C(C=C3)S(=O)(=O)C4CCC4)F

Isomeric SMILES

CCCCOC(=O)N1CCC(CC1)OC2=NC=NC(=C2C)NC3=C(C=C(C=C3)S(=O)(=O)C4CCC4)F

InChI

InChI=1S/C25H33FN4O5S/c1-3-4-14-34-25(31)30-12-10-18(11-13-30)35-24-17(2)23(27-16-28-24)29-22-9-8-20(15-21(22)26)36(32,33)19-6-5-7-19/h8-9,15-16,18-19H,3-7,10-14H2,1-2H3,(H,27,28,29)