1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea Formula: C20H14F3N5O2 MolecularWeight: 413.35267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14F3N5O2/c21-20(22,23)12-2-1-3-14(10-12)28-19(29)27-13-4-6-15(7-5-13)30-18-16-8-9-24-17(16)25-11-26-18/h1-11H,(H,24,25,26)(H2,27,28,29)