N-[(2S)-3-methylbutan-2-yl]-6-[[(2S)-1-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethylamino]propan-2-yl]amino]-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidine-4-carboxamide

Systemtic Name: N-[(2S)-3-methylbutan-2-yl]-6-[[(2S)-1-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethylamino]propan-2-yl]amino]-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidine-4-carboxamide Openeye Name: N-[(1S)-1,2-dimethylpropyl]-6-[[(1S)-1-methyl-2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidine-4-carboxamide CAS Name: N-[(2S)-3-methylbutan-2-yl]-6-[[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]amino]-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-pyrimidinecarboxamide IUPAC Name: N-[(2S)-3-methylbutan-2-yl]-6-[[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]amino]-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidine-4-carboxamide Traditional Name: N-[(1S)-1,2-dimethylpropyl]-6-[[(1S)-2-keto-1-methyl-2-(2,2,2-trifluoroethylamino)ethyl]amino]-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidine-4-carboxamide Formula: C21H25F3N8O2 MolecularWeight: 478.47081

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)C1=CC(=NC(=N1)C2=CNC3=NC=NC=C23)NC(C)C(=O)NCC(F)(F)F

Isomeric SMILES

C[C@@H](C(C)C)NC(=O)C1=CC(=NC(=N1)C2=CNC3=NC=NC=C23)N[C@@H](C)C(=O)NCC(F)(F)F

InChI

InChI=1S/C21H25F3N8O2/c1-10(2)11(3)30-20(34)15-5-16(29-12(4)19(33)27-8-21(22,23)24)32-18(31-15)14-7-26-17-13(14)6-25-9-28-17/h5-7,9-12H,8H2,1-4H3,(H,27,33)(H,30,34)(H,25,26,28)(H,29,31,32)/t11-,12-/m0/s1