methyl 3-fluoranyl-5-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoate

Systemtic Name: methyl 3-fluoranyl-5-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoate Openeye Name: methyl 3-fluoro-5-[4-(pyrimidin-2-ylamino)-1-piperidyl]benzoate CAS Name: 3-fluoro-5-[4-(2-pyrimidinylamino)-1-piperidinyl]benzoic acid methyl ester IUPAC Name: methyl 3-fluoro-5-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoate Traditional Name: 3-fluoro-5-[4-(2-pyrimidylamino)piperidino]benzoic acid methyl ester Formula: C17H19FN4O2 MolecularWeight: 330.356763

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)F)N2CCC(CC2)NC3=NC=CC=N3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)F)N2CCC(CC2)NC3=NC=CC=N3

InChI

InChI=1S/C17H19FN4O2/c1-24-16(23)12-9-13(18)11-15(10-12)22-7-3-14(4-8-22)21-17-19-5-2-6-20-17/h2,5-6,9-11,14H,3-4,7-8H2,1H3,(H,19,20,21)