4-[(4-azanylcyclohexyl)methylamino]-2-[[2-(trifluoromethyloxy)phenyl]methylamino]pyrimidine-5-carbonitrile

Systemtic Name: 4-[(4-azanylcyclohexyl)methylamino]-2-[[2-(trifluoromethyloxy)phenyl]methylamino]pyrimidine-5-carbonitrile Openeye Name: 4-[(4-aminocyclohexyl)methylamino]-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidine-5-carbonitrile CAS Name: 4-[(4-aminocyclohexyl)methylamino]-2-[[2-(trifluoromethoxy)phenyl]methylamino]-5-pyrimidinecarbonitrile IUPAC Name: 4-[(4-aminocyclohexyl)methylamino]-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidine-5-carbonitrile Traditional Name: 4-[(4-aminocyclohexyl)methylamino]-2-[[2-(trifluoromethoxy)benzyl]amino]pyrimidine-5-carbonitrile Formula: C20H23F3N6O MolecularWeight: 420.43143

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC2=NC(=NC=C2C#N)NCC3=CC=CC=C3OC(F)(F)F)N

Isomeric SMILES

C1CC(CCC1CNC2=NC(=NC=C2C#N)NCC3=CC=CC=C3OC(F)(F)F)N

InChI

InChI=1S/C20H23F3N6O/c21-20(22,23)30-17-4-2-1-3-14(17)11-27-19-28-12-15(9-24)18(29-19)26-10-13-5-7-16(25)8-6-13/h1-4,12-13,16H,5-8,10-11,25H2,(H2,26,27,28,29)