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

Systemtic Name: 1-[2-[6-azanyl-9-methyl-8-[3-(trifluoromethyl)phenyl]purin-2-yl]ethynyl]cyclopentan-1-ol Openeye Name: 1-[2-[6-amino-9-methyl-8-[3-(trifluoromethyl)phenyl]purin-2-yl]ethynyl]cyclopentanol CAS Name: 1-[2-[6-amino-9-methyl-8-[3-(trifluoromethyl)phenyl]-2-purinyl]ethynyl]-1-cyclopentanol IUPAC Name: 1-[2-[6-amino-9-methyl-8-[3-(trifluoromethyl)phenyl]purin-2-yl]ethynyl]cyclopentan-1-ol Traditional Name: 1-[2-[6-amino-9-methyl-8-[3-(trifluoromethyl)phenyl]purin-2-yl]ethynyl]cyclopentanol Formula: C20H18F3N5O MolecularWeight: 401.38503

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC3(CCCC3)O)N)N=C1C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC3(CCCC3)O)N)N=C1C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C20H18F3N5O/c1-28-17(12-5-4-6-13(11-12)20(21,22)23)27-15-16(24)25-14(26-18(15)28)7-10-19(29)8-2-3-9-19/h4-6,11,29H,2-3,8-9H2,1H3,(H2,24,25,26)