piperidin-1-yl-[4-[[4-[2,2,2-tris(fluoranyl)ethylamino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]methanone

Systemtic Name: piperidin-1-yl-[4-[[4-[2,2,2-tris(fluoranyl)ethylamino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]methanone Openeye Name: 1-piperidyl-[4-[[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]methanone CAS Name: 1-piperidinyl-[4-[[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]methanone IUPAC Name: piperidin-1-yl-[4-[[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]methanone Traditional Name: piperidino-[4-[[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]methanone Formula: C20H21F3N6O MolecularWeight: 418.41555

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)NCC(F)(F)F

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)NCC(F)(F)F

InChI

InChI=1S/C20H21F3N6O/c21-20(22,23)12-25-17-15-8-9-24-16(15)27-19(28-17)26-14-6-4-13(5-7-14)18(30)29-10-2-1-3-11-29/h4-9H,1-3,10-12H2,(H3,24,25,26,27,28)