ethyl 1-[3-[[5-fluoranyl-4-(1H-indol-6-ylamino)pyrimidin-2-yl]amino]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[[5-fluoranyl-4-(1H-indol-6-ylamino)pyrimidin-2-yl]amino]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-[[5-fluoro-4-(1H-indol-6-ylamino)pyrimidin-2-yl]amino]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[3-[[5-fluoro-4-(1H-indol-6-ylamino)-2-pyrimidinyl]amino]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[[5-fluoro-4-(1H-indol-6-ylamino)pyrimidin-2-yl]amino]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[[5-fluoro-4-(1H-indol-6-ylamino)pyrimidin-2-yl]amino]benzoyl]isonipecotic acid ethyl ester Formula: C27H27FN6O3 MolecularWeight: 502.540083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)NC3=NC=C(C(=N3)NC4=CC5=C(C=C4)C=CN5)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)NC3=NC=C(C(=N3)NC4=CC5=C(C=C4)C=CN5)F

InChI

InChI=1S/C27H27FN6O3/c1-2-37-26(36)18-9-12-34(13-10-18)25(35)19-4-3-5-20(14-19)32-27-30-16-22(28)24(33-27)31-21-7-6-17-8-11-29-23(17)15-21/h3-8,11,14-16,18,29H,2,9-10,12-13H2,1H3,(H2,30,31,32,33)