2-azanyl-1-ethynyl-6-[8-(3-fluorophenyl)-9-methyl-purin-2-yl]-4-phenyl-cyclohexan-1-ol

Systemtic Name: 2-azanyl-1-ethynyl-6-[8-(3-fluorophenyl)-9-methyl-purin-2-yl]-4-phenyl-cyclohexan-1-ol Openeye Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-methyl-purin-2-yl]-4-phenyl-cyclohexanol CAS Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-methyl-2-purinyl]-4-phenyl-1-cyclohexanol IUPAC Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-methylpurin-2-yl]-4-phenylcyclohexan-1-ol Traditional Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-methyl-purin-2-yl]-4-phenyl-cyclohexanol Formula: C26H24FN5O MolecularWeight: 441.500063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CN=C(N=C21)C3CC(CC(C3(C#C)O)N)C4=CC=CC=C4)C5=CC(=CC=C5)F

Isomeric SMILES

CN1C(=NC2=CN=C(N=C21)C3CC(CC(C3(C#C)O)N)C4=CC=CC=C4)C5=CC(=CC=C5)F

InChI

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