(2R)-1-[5-fluoranyl-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-N-[2,2,2-tris(fluoranyl)ethyl]pyrrolidine-2-carboxamide

Systemtic Name: (2R)-1-[5-fluoranyl-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-N-[2,2,2-tris(fluoranyl)ethyl]pyrrolidine-2-carboxamide Openeye Name: (2R)-1-[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide CAS Name: (2R)-1-[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-pyrimidinyl]-N-(2,2,2-trifluoroethyl)-2-pyrrolidinecarboxamide IUPAC Name: (2R)-1-[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide Traditional Name: (2R)-1-[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide Formula: C17H15F4N7O MolecularWeight: 409.340913

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC(=NC=C2F)C3=CNC4=NC=NC=C34)C(=O)NCC(F)(F)F

Isomeric SMILES

C1C[C@@H](N(C1)C2=NC(=NC=C2F)C3=CNC4=NC=NC=C34)C(=O)NCC(F)(F)F

InChI

InChI=1S/C17H15F4N7O/c18-11-6-24-14(10-5-23-13-9(10)4-22-8-26-13)27-15(11)28-3-1-2-12(28)16(29)25-7-17(19,20)21/h4-6,8,12H,1-3,7H2,(H,25,29)(H,22,23,26)/t12-/m1/s1