4-[(4-pyrrolidin-1-ylcyclohexyl)methylamino]-2-[[2-(trifluoromethyloxy)phenyl]methylamino]pyrimidine-5-carbonitrile

Systemtic Name: 4-[(4-pyrrolidin-1-ylcyclohexyl)methylamino]-2-[[2-(trifluoromethyloxy)phenyl]methylamino]pyrimidine-5-carbonitrile Openeye Name: 4-[(4-pyrrolidin-1-ylcyclohexyl)methylamino]-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidine-5-carbonitrile CAS Name: 4-[[4-(1-pyrrolidinyl)cyclohexyl]methylamino]-2-[[2-(trifluoromethoxy)phenyl]methylamino]-5-pyrimidinecarbonitrile IUPAC Name: 4-[(4-pyrrolidin-1-ylcyclohexyl)methylamino]-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidine-5-carbonitrile Traditional Name: 4-[(4-pyrrolidinocyclohexyl)methylamino]-2-[[2-(trifluoromethoxy)benzyl]amino]pyrimidine-5-carbonitrile Formula: C24H29F3N6O MolecularWeight: 474.52187

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCC(CC2)CNC3=NC(=NC=C3C#N)NCC4=CC=CC=C4OC(F)(F)F

Isomeric SMILES

C1CCN(C1)C2CCC(CC2)CNC3=NC(=NC=C3C#N)NCC4=CC=CC=C4OC(F)(F)F

InChI

InChI=1S/C24H29F3N6O/c25-24(26,27)34-21-6-2-1-5-18(21)15-30-23-31-16-19(13-28)22(32-23)29-14-17-7-9-20(10-8-17)33-11-3-4-12-33/h1-2,5-6,16-17,20H,3-4,7-12,14-15H2,(H2,29,30,31,32)