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

Systemtic Name: 1-[2-[6-azanyl-8-(3-fluorophenyl)-9-(4-methoxyphenyl)purin-2-yl]ethynyl]cyclohexan-1-ol Openeye Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-(4-methoxyphenyl)purin-2-yl]ethynyl]cyclohexanol CAS Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-(4-methoxyphenyl)-2-purinyl]ethynyl]-1-cyclohexanol IUPAC Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-(4-methoxyphenyl)purin-2-yl]ethynyl]cyclohexan-1-ol Traditional Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-(4-methoxyphenyl)purin-2-yl]ethynyl]cyclohexanol Formula: C26H24FN5O2 MolecularWeight: 457.499463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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