N-(5-methyl-1,2-oxazol-3-yl)-4-[[4-[2,2,2-tris(fluoranyl)ethylamino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-4-[[4-[2,2,2-tris(fluoranyl)ethylamino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide Openeye Name: N-(5-methylisoxazol-3-yl)-4-[[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide CAS Name: N-(5-methyl-3-isoxazolyl)-4-[[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-4-[[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide Traditional Name: N-(5-methylisoxazol-3-yl)-4-[[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide Formula: C19H16F3N7O2 MolecularWeight: 431.37125

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)NCC(F)(F)F

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)NCC(F)(F)F

InChI

InChI=1S/C19H16F3N7O2/c1-10-8-14(29-31-10)26-17(30)11-2-4-12(5-3-11)25-18-27-15-13(6-7-23-15)16(28-18)24-9-19(20,21)22/h2-8H,9H2,1H3,(H,26,29,30)(H3,23,24,25,27,28)