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

Systemtic Name: 1-ethynyl-2-[8-(3-fluorophenyl)-9-methyl-6-(2-methylpropylamino)purin-2-yl]cyclopentan-1-ol Openeye Name: 1-ethynyl-2-[8-(3-fluorophenyl)-6-(isobutylamino)-9-methyl-purin-2-yl]cyclopentanol CAS Name: 1-ethynyl-2-[8-(3-fluorophenyl)-9-methyl-6-(2-methylpropylamino)-2-purinyl]-1-cyclopentanol IUPAC Name: 1-ethynyl-2-[8-(3-fluorophenyl)-9-methyl-6-(2-methylpropylamino)purin-2-yl]cyclopentan-1-ol Traditional Name: 1-ethynyl-2-[8-(3-fluorophenyl)-6-(isobutylamino)-9-methyl-purin-2-yl]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)C4CCCC4(C#C)O

Isomeric SMILES

CC(C)CNC1=NC(=NC2=C1N=C(N2C)C3=CC(=CC=C3)F)C4CCCC4(C#C)O

InChI

InChI=1S/C23H26FN5O/c1-5-23(30)11-7-10-17(23)19-27-20(25-13-14(2)3)18-22(28-19)29(4)21(26-18)15-8-6-9-16(24)12-15/h1,6,8-9,12,14,17,30H,7,10-11,13H2,2-4H3,(H,25,27,28)