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

Systemtic Name: 2-[6-(cyclopentylamino)-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclopentan-1-ol Openeye Name: 2-[6-(cyclopentylamino)-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclopentanol CAS Name: 2-[6-(cyclopentylamino)-8-(3-fluorophenyl)-9-methyl-2-purinyl]-1-ethynyl-1-cyclopentanol IUPAC Name: 2-[6-(cyclopentylamino)-8-(3-fluorophenyl)-9-methylpurin-2-yl]-1-ethynylcyclopentan-1-ol Traditional Name: 2-[6-(cyclopentylamino)-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclopentanol Formula: C24H26FN5O MolecularWeight: 419.494543

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CCCC3(C#C)O)NC4CCCC4)N=C1C5=CC(=CC=C5)F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CCCC3(C#C)O)NC4CCCC4)N=C1C5=CC(=CC=C5)F

InChI

InChI=1S/C24H26FN5O/c1-3-24(31)13-7-12-18(24)20-28-21(26-17-10-4-5-11-17)19-23(29-20)30(2)22(27-19)15-8-6-9-16(25)14-15/h1,6,8-9,14,17-18,31H,4-5,7,10-13H2,2H3,(H,26,28,29)