(2S)-2-[[6-pyrrolidin-1-ylcarbonyl-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-[2,2,2-tris(fluoranyl)ethyl]propanamide

Systemtic Name: (2S)-2-[[6-pyrrolidin-1-ylcarbonyl-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-[2,2,2-tris(fluoranyl)ethyl]propanamide Openeye Name: (2S)-2-[[6-(pyrrolidine-1-carbonyl)-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide CAS Name: (2S)-2-[[6-[oxo(1-pyrrolidinyl)methyl]-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-pyrimidinyl]amino]-N-(2,2,2-trifluoroethyl)propanamide IUPAC Name: (2S)-2-[[6-(pyrrolidine-1-carbonyl)-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide Traditional Name: (2S)-2-[[6-(pyrrolidine-1-carbonyl)-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propionamide Formula: C20H21F3N8O2 MolecularWeight: 462.42835

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(F)(F)F)NC1=NC(=NC(=C1)C(=O)N2CCCC2)C3=CNC4=NC=NC=C34

Isomeric SMILES

C[C@@H](C(=O)NCC(F)(F)F)NC1=NC(=NC(=C1)C(=O)N2CCCC2)C3=CNC4=NC=NC=C34

InChI

InChI=1S/C20H21F3N8O2/c1-11(18(32)26-9-20(21,22)23)28-15-6-14(19(33)31-4-2-3-5-31)29-17(30-15)13-8-25-16-12(13)7-24-10-27-16/h6-8,10-11H,2-5,9H2,1H3,(H,26,32)(H,24,25,27)(H,28,29,30)/t11-/m0/s1