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

Systemtic Name: butyl 4-[6-[(4-cyclopropylsulfonyl-2-fluoranyl-phenyl)amino]-5-methoxy-pyrimidin-4-yl]oxypiperidine-1-carboxylate Openeye Name: butyl 4-[6-(4-cyclopropylsulfonyl-2-fluoro-anilino)-5-methoxy-pyrimidin-4-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[6-(4-cyclopropylsulfonyl-2-fluoroanilino)-5-methoxy-4-pyrimidinyl]oxy]-1-piperidinecarboxylic acid butyl ester IUPAC Name: butyl 4-[6-(4-cyclopropylsulfonyl-2-fluoroanilino)-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[6-(4-cyclopropylsulfonyl-2-fluoro-anilino)-5-methoxy-pyrimidin-4-yl]oxypiperidine-1-carboxylic acid butyl ester Formula: C24H31FN4O6S MolecularWeight: 522.589543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1CCC(CC1)OC2=NC=NC(=C2OC)NC3=C(C=C(C=C3)S(=O)(=O)C4CC4)F

Isomeric SMILES

CCCCOC(=O)N1CCC(CC1)OC2=NC=NC(=C2OC)NC3=C(C=C(C=C3)S(=O)(=O)C4CC4)F

InChI

InChI=1S/C24H31FN4O6S/c1-3-4-13-34-24(30)29-11-9-16(10-12-29)35-23-21(33-2)22(26-15-27-23)28-20-8-7-18(14-19(20)25)36(31,32)17-5-6-17/h7-8,14-17H,3-6,9-13H2,1-2H3,(H,26,27,28)