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

Systemtic Name: 2-[6-(ethylamino)-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclopentan-1-ol Openeye Name: 2-[6-(ethylamino)-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclopentanol CAS Name: 2-[6-(ethylamino)-8-(3-fluorophenyl)-9-methyl-2-purinyl]-1-ethynyl-1-cyclopentanol IUPAC Name: 2-[6-(ethylamino)-8-(3-fluorophenyl)-9-methylpurin-2-yl]-1-ethynylcyclopentan-1-ol Traditional Name: 2-[6-(ethylamino)-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclopentanol Formula: C21H22FN5O MolecularWeight: 379.430683

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=C1N=C(N2C)C3=CC(=CC=C3)F)C4CCCC4(C#C)O

Isomeric SMILES

CCNC1=NC(=NC2=C1N=C(N2C)C3=CC(=CC=C3)F)C4CCCC4(C#C)O

InChI

InChI=1S/C21H22FN5O/c1-4-21(28)11-7-10-15(21)17-25-18(23-5-2)16-20(26-17)27(3)19(24-16)13-8-6-9-14(22)12-13/h1,6,8-9,12,15,28H,5,7,10-11H2,2-3H3,(H,23,25,26)