4-[2-(pyrimidin-2-ylamino)ethyl-[2,2,2-tris(fluoranyl)ethyl]amino]-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-[2-(pyrimidin-2-ylamino)ethyl-[2,2,2-tris(fluoranyl)ethyl]amino]-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-[2-(pyrimidin-2-ylamino)ethyl-(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile CAS Name: 4-[2-(2-pyrimidinylamino)ethyl-(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-[2-(pyrimidin-2-ylamino)ethyl-(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile Traditional Name: 4-[2-(2-pyrimidylamino)ethyl-(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile Formula: C16H13F6N5 MolecularWeight: 389.298339

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NCCN(CC(F)(F)F)C2=CC(=C(C=C2)C#N)C(F)(F)F

Isomeric SMILES

C1=CN=C(N=C1)NCCN(CC(F)(F)F)C2=CC(=C(C=C2)C#N)C(F)(F)F

InChI

InChI=1S/C16H13F6N5/c17-15(18,19)10-27(7-6-26-14-24-4-1-5-25-14)12-3-2-11(9-23)13(8-12)16(20,21)22/h1-5,8H,6-7,10H2,(H,24,25,26)