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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC3(CCCC3)O)NC4CCCC4)N=C1C5=CC(=CC=C5)F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC3(CCCC3)O)NC4CCCC4)N=C1C5=CC(=CC=C5)F

InChI

InChI=1S/C24H26FN5O/c1-30-22(16-7-6-8-17(25)15-16)29-20-21(26-18-9-2-3-10-18)27-19(28-23(20)30)11-14-24(31)12-4-5-13-24/h6-8,15,18,31H,2-5,9-10,12-13H2,1H3,(H,26,27,28)