1-[(2R)-2-[2-[4-[[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]amino]thieno[3,2-d]pyrimidin-6-yl]ethynyl]pyrrolidin-1-yl]-2,2,2-tris(fluoranyl)ethanone

Systemtic Name: 1-[(2R)-2-[2-[4-[[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]amino]thieno[3,2-d]pyrimidin-6-yl]ethynyl]pyrrolidin-1-yl]-2,2,2-tris(fluoranyl)ethanone Openeye Name: 1-[(2R)-2-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]thieno[3,2-d]pyrimidin-6-yl]ethynyl]pyrrolidin-1-yl]-2,2,2-trifluoro-ethanone CAS Name: 1-[(2R)-2-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-6-thieno[3,2-d]pyrimidinyl]ethynyl]-1-pyrrolidinyl]-2,2,2-trifluoroethanone IUPAC Name: 1-[(2R)-2-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]thieno[3,2-d]pyrimidin-6-yl]ethynyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone Traditional Name: 1-[(2R)-2-[2-[4-[3-chloro-4-(3-fluorobenzyl)oxy-anilino]thieno[3,2-d]pyrimidin-6-yl]ethynyl]pyrrolidino]-2,2,2-trifluoro-ethanone Formula: C27H19ClF4N4O2S MolecularWeight: 574.976973

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(F)(F)F)C#CC2=CC3=C(S2)C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)C(F)(F)F)C#CC2=CC3=C(S2)C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl

InChI

InChI=1S/C27H19ClF4N4O2S/c28-21-12-18(6-9-23(21)38-14-16-3-1-4-17(29)11-16)35-25-24-22(33-15-34-25)13-20(39-24)8-7-19-5-2-10-36(19)26(37)27(30,31)32/h1,3-4,6,9,11-13,15,19H,2,5,10,14H2,(H,33,34,35)/t19-/m1/s1