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

Systemtic Name: 1-[2-[6-azanyl-8-(3-fluorophenyl)-9-(2-methoxyethyl)purin-2-yl]ethynyl]cyclohexan-1-ol Openeye Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-(2-methoxyethyl)purin-2-yl]ethynyl]cyclohexanol CAS Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-(2-methoxyethyl)-2-purinyl]ethynyl]-1-cyclohexanol IUPAC Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-(2-methoxyethyl)purin-2-yl]ethynyl]cyclohexan-1-ol Traditional Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-(2-methoxyethyl)purin-2-yl]ethynyl]cyclohexanol Formula: C22H24FN5O2 MolecularWeight: 409.456663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)N)N=C1C4=CC(=CC=C4)F

Isomeric SMILES

COCCN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)N)N=C1C4=CC(=CC=C4)F

InChI

InChI=1S/C22H24FN5O2/c1-30-13-12-28-20(15-6-5-7-16(23)14-15)27-18-19(24)25-17(26-21(18)28)8-11-22(29)9-3-2-4-10-22/h5-7,14,29H,2-4,9-10,12-13H2,1H3,(H2,24,25,26)