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

Systemtic Name: N-(2-methylpropyl)-4-[[4-[2,2,2-tris(fluoranyl)ethylamino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide Openeye Name: N-isobutyl-4-[[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide CAS Name: N-(2-methylpropyl)-4-[[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide IUPAC Name: N-(2-methylpropyl)-4-[[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide Traditional Name: N-isobutyl-4-[[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide Formula: C19H21F3N6O MolecularWeight: 406.40485

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC=C(C=C1)NC2=NC3=C(C=CN3)C(=N2)NCC(F)(F)F

Isomeric SMILES

CC(C)CNC(=O)C1=CC=C(C=C1)NC2=NC3=C(C=CN3)C(=N2)NCC(F)(F)F

InChI

InChI=1S/C19H21F3N6O/c1-11(2)9-24-17(29)12-3-5-13(6-4-12)26-18-27-15-14(7-8-23-15)16(28-18)25-10-19(20,21)22/h3-8,11H,9-10H2,1-2H3,(H,24,29)(H3,23,25,26,27,28)