1-[2-[6-azanyl-9-methyl-8-[3-(trifluoromethyl)phenyl]purin-2-yl]ethynyl]cyclohexan-1-ol

Systemtic Name: 1-[2-[6-azanyl-9-methyl-8-[3-(trifluoromethyl)phenyl]purin-2-yl]ethynyl]cyclohexan-1-ol Openeye Name: 1-[2-[6-amino-9-methyl-8-[3-(trifluoromethyl)phenyl]purin-2-yl]ethynyl]cyclohexanol CAS Name: 1-[2-[6-amino-9-methyl-8-[3-(trifluoromethyl)phenyl]-2-purinyl]ethynyl]-1-cyclohexanol IUPAC Name: 1-[2-[6-amino-9-methyl-8-[3-(trifluoromethyl)phenyl]purin-2-yl]ethynyl]cyclohexan-1-ol Traditional Name: 1-[2-[6-amino-9-methyl-8-[3-(trifluoromethyl)phenyl]purin-2-yl]ethynyl]cyclohexanol Formula: C21H20F3N5O MolecularWeight: 415.41161

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)N)N=C1C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)N)N=C1C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C21H20F3N5O/c1-29-18(13-6-5-7-14(12-13)21(22,23)24)28-16-17(25)26-15(27-19(16)29)8-11-20(30)9-3-2-4-10-20/h5-7,12,30H,2-4,9-10H2,1H3,(H2,25,26,27)