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

Systemtic Name: 1-ethynyl-2-[8-(3-fluorophenyl)-9-methyl-purin-2-yl]cyclohexan-1-ol Openeye Name: 1-ethynyl-2-[8-(3-fluorophenyl)-9-methyl-purin-2-yl]cyclohexanol CAS Name: 1-ethynyl-2-[8-(3-fluorophenyl)-9-methyl-2-purinyl]-1-cyclohexanol IUPAC Name: 1-ethynyl-2-[8-(3-fluorophenyl)-9-methylpurin-2-yl]cyclohexan-1-ol Traditional Name: 1-ethynyl-2-[8-(3-fluorophenyl)-9-methyl-purin-2-yl]cyclohexanol Formula: C20H19FN4O MolecularWeight: 350.389463

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CN=C(N=C21)C3CCCCC3(C#C)O)C4=CC(=CC=C4)F

Isomeric SMILES

CN1C(=NC2=CN=C(N=C21)C3CCCCC3(C#C)O)C4=CC(=CC=C4)F

InChI

InChI=1S/C20H19FN4O/c1-3-20(26)10-5-4-9-15(20)17-22-12-16-19(24-17)25(2)18(23-16)13-7-6-8-14(21)11-13/h1,6-8,11-12,15,26H,4-5,9-10H2,2H3