4-[[9-ethyl-6-[[4-(trifluoromethyl)phenyl]amino]purin-2-yl]amino]cyclohexan-1-ol

Systemtic Name: 4-[[9-ethyl-6-[[4-(trifluoromethyl)phenyl]amino]purin-2-yl]amino]cyclohexan-1-ol Openeye Name: 4-[[9-ethyl-6-[4-(trifluoromethyl)anilino]purin-2-yl]amino]cyclohexanol CAS Name: 4-[[9-ethyl-6-[4-(trifluoromethyl)anilino]-2-purinyl]amino]-1-cyclohexanol IUPAC Name: 4-[[9-ethyl-6-[4-(trifluoromethyl)anilino]purin-2-yl]amino]cyclohexan-1-ol Traditional Name: 4-[[9-ethyl-6-[4-(trifluoromethyl)anilino]purin-2-yl]amino]cyclohexanol Formula: C20H23F3N6O MolecularWeight: 420.43143

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)C(F)(F)F)NC4CCC(CC4)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)C(F)(F)F)NC4CCC(CC4)O

InChI

InChI=1S/C20H23F3N6O/c1-2-29-11-24-16-17(25-13-5-3-12(4-6-13)20(21,22)23)27-19(28-18(16)29)26-14-7-9-15(30)10-8-14/h3-6,11,14-15,30H,2,7-10H2,1H3,(H2,25,26,27,28)