N-[3-fluoranyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-3-oxidanylidene-4-phenyl-butanethioamide

Systemtic Name: N-[3-fluoranyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-3-oxidanylidene-4-phenyl-butanethioamide Openeye Name: N-[3-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-3-oxo-4-phenyl-butanethioamide CAS Name: N-[3-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-3-oxo-4-phenylbutanethioamide IUPAC Name: N-[3-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-3-oxo-4-phenylbutanethioamide Traditional Name: N-[3-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-3-keto-4-phenyl-thiobutyramide Formula: C22H17FN4O2S MolecularWeight: 420.459383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)CC(=S)NC2=CC(=C(C=C2)OC3=NC=NC4=C3C=CN4)F

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)CC(=S)NC2=CC(=C(C=C2)OC3=NC=NC4=C3C=CN4)F

InChI

InChI=1S/C22H17FN4O2S/c23-18-11-15(27-20(30)12-16(28)10-14-4-2-1-3-5-14)6-7-19(18)29-22-17-8-9-24-21(17)25-13-26-22/h1-9,11,13H,10,12H2,(H,27,30)(H,24,25,26)