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

Systemtic Name: 1-[2-[6-azanyl-8-(3-fluorophenyl)-9-(3-methoxyphenyl)purin-2-yl]ethynyl]cyclohexan-1-ol Openeye Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-(3-methoxyphenyl)purin-2-yl]ethynyl]cyclohexanol CAS Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-(3-methoxyphenyl)-2-purinyl]ethynyl]-1-cyclohexanol IUPAC Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-(3-methoxyphenyl)purin-2-yl]ethynyl]cyclohexan-1-ol Traditional Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-(3-methoxyphenyl)purin-2-yl]ethynyl]cyclohexanol Formula: C26H24FN5O2 MolecularWeight: 457.499463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C3=C(C(=NC(=N3)C#CC4(CCCCC4)O)N)N=C2C5=CC(=CC=C5)F

Isomeric SMILES

COC1=CC=CC(=C1)N2C3=C(C(=NC(=N3)C#CC4(CCCCC4)O)N)N=C2C5=CC(=CC=C5)F

InChI

InChI=1S/C26H24FN5O2/c1-34-20-10-6-9-19(16-20)32-24(17-7-5-8-18(27)15-17)31-22-23(28)29-21(30-25(22)32)11-14-26(33)12-3-2-4-13-26/h5-10,15-16,33H,2-4,12-13H2,1H3,(H2,28,29,30)