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

Systemtic Name: 1-ethynyl-2-[8-(3-fluorophenyl)-9-methyl-6-[(phenylmethyl)amino]purin-2-yl]cyclopentan-1-ol Openeye Name: 2-[6-(benzylamino)-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclopentanol CAS Name: 1-ethynyl-2-[8-(3-fluorophenyl)-9-methyl-6-[(phenylmethyl)amino]-2-purinyl]-1-cyclopentanol IUPAC Name: 2-[6-(benzylamino)-8-(3-fluorophenyl)-9-methylpurin-2-yl]-1-ethynylcyclopentan-1-ol Traditional Name: 2-[6-(benzylamino)-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclopentanol Formula: C26H24FN5O MolecularWeight: 441.500063

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CCCC3(C#C)O)NCC4=CC=CC=C4)N=C1C5=CC(=CC=C5)F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CCCC3(C#C)O)NCC4=CC=CC=C4)N=C1C5=CC(=CC=C5)F

InChI

InChI=1S/C26H24FN5O/c1-3-26(33)14-8-13-20(26)22-30-23(28-16-17-9-5-4-6-10-17)21-25(31-22)32(2)24(29-21)18-11-7-12-19(27)15-18/h1,4-7,9-12,15,20,33H,8,13-14,16H2,2H3,(H,28,30,31)