3-[[4-[(4-oxidanylcyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]adamantan-1-ol

Systemtic Name: 3-[[4-[(4-oxidanylcyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]adamantan-1-ol Openeye Name: 3-[[4-[(4-hydroxycyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]adamantan-1-ol CAS Name: 3-[[4-[(4-hydroxycyclohexyl)amino]-5-(trifluoromethyl)-2-pyrimidinyl]amino]-1-adamantanol IUPAC Name: 3-[[4-[(4-hydroxycyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]adamantan-1-ol Traditional Name: 3-[[4-[(4-hydroxycyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]adamantan-1-ol Formula: C21H29F3N4O2 MolecularWeight: 426.47577

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=NC(=NC=C2C(F)(F)F)NC34CC5CC(C3)CC(C5)(C4)O)O

Isomeric SMILES

C1CC(CCC1NC2=NC(=NC=C2C(F)(F)F)NC34CC5CC(C3)CC(C5)(C4)O)O

InChI

InChI=1S/C21H29F3N4O2/c22-21(23,24)16-10-25-18(27-17(16)26-14-1-3-15(29)4-2-14)28-19-6-12-5-13(7-19)9-20(30,8-12)11-19/h10,12-15,29-30H,1-9,11H2,(H2,25,26,27,28)