2-[2-hydroxyethyl-[9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methylamino]purin-2-yl]amino]ethanol

Systemtic Name: 2-[2-hydroxyethyl-[9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methylamino]purin-2-yl]amino]ethanol Openeye Name: 2-[2-hydroxyethyl-[9-isopropyl-6-[[4-(trifluoromethyl)phenyl]methylamino]purin-2-yl]amino]ethanol CAS Name: 2-[2-hydroxyethyl-[9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methylamino]-2-purinyl]amino]ethanol IUPAC Name: 2-[2-hydroxyethyl-[9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methylamino]purin-2-yl]amino]ethanol Traditional Name: 2-[2-hydroxyethyl-[9-isopropyl-6-[[4-(trifluoromethyl)benzyl]amino]purin-2-yl]amino]ethanol Formula: C20H25F3N6O2 MolecularWeight: 438.44671

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C(F)(F)F)N(CCO)CCO

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C(F)(F)F)N(CCO)CCO

InChI

InChI=1S/C20H25F3N6O2/c1-13(2)29-12-25-16-17(24-11-14-3-5-15(6-4-14)20(21,22)23)26-19(27-18(16)29)28(7-9-30)8-10-31/h3-6,12-13,30-31H,7-11H2,1-2H3,(H,24,26,27)