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

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

CN1C2=C(C(=NC(=N2)C3CCCC3(C#C)O)N(C)C)N=C1C4=CC(=CC=C4)F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CCCC3(C#C)O)N(C)C)N=C1C4=CC(=CC=C4)F

InChI

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