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

Systemtic Name: propan-2-yl 4-[6-[(4-cyano-2-fluoranyl-phenyl)amino]-5-methoxy-pyrimidin-4-yl]oxypiperidine-1-carboxylate Openeye Name: isopropyl 4-[6-(4-cyano-2-fluoro-anilino)-5-methoxy-pyrimidin-4-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[6-(4-cyano-2-fluoroanilino)-5-methoxy-4-pyrimidinyl]oxy]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[6-(4-cyano-2-fluoroanilino)-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[6-(4-cyano-2-fluoro-anilino)-5-methoxy-pyrimidin-4-yl]oxypiperidine-1-carboxylic acid isopropyl ester Formula: C21H24FN5O4 MolecularWeight: 429.444763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2OC)NC3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2OC)NC3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C21H24FN5O4/c1-13(2)30-21(28)27-8-6-15(7-9-27)31-20-18(29-3)19(24-12-25-20)26-17-5-4-14(11-23)10-16(17)22/h4-5,10,12-13,15H,6-9H2,1-3H3,(H,24,25,26)