1-[2-[8-(3-fluorophenyl)-9-methyl-6-(2-methylpropylamino)purin-2-yl]ethynyl]cyclopentan-1-ol

Systemtic Name: 1-[2-[8-(3-fluorophenyl)-9-methyl-6-(2-methylpropylamino)purin-2-yl]ethynyl]cyclopentan-1-ol Openeye Name: 1-[2-[8-(3-fluorophenyl)-6-(isobutylamino)-9-methyl-purin-2-yl]ethynyl]cyclopentanol CAS Name: 1-[2-[8-(3-fluorophenyl)-9-methyl-6-(2-methylpropylamino)-2-purinyl]ethynyl]-1-cyclopentanol IUPAC Name: 1-[2-[8-(3-fluorophenyl)-9-methyl-6-(2-methylpropylamino)purin-2-yl]ethynyl]cyclopentan-1-ol Traditional Name: 1-[2-[8-(3-fluorophenyl)-6-(isobutylamino)-9-methyl-purin-2-yl]ethynyl]cyclopentanol Formula: C23H26FN5O MolecularWeight: 407.483843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=NC2=C1N=C(N2C)C3=CC(=CC=C3)F)C#CC4(CCCC4)O

Isomeric SMILES

CC(C)CNC1=NC(=NC2=C1N=C(N2C)C3=CC(=CC=C3)F)C#CC4(CCCC4)O

InChI

InChI=1S/C23H26FN5O/c1-15(2)14-25-20-19-22(27-18(26-20)9-12-23(30)10-4-5-11-23)29(3)21(28-19)16-7-6-8-17(24)13-16/h6-8,13,15,30H,4-5,10-11,14H2,1-3H3,(H,25,26,27)