1-[2-[6-chloranyl-8-(2-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]cyclohexan-1-ol

Systemtic Name: 1-[2-[6-chloranyl-8-(2-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]cyclohexan-1-ol Openeye Name: 1-[2-[6-chloro-8-(2-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]cyclohexanol CAS Name: 1-[2-[6-chloro-8-(2-fluorophenyl)-9-methyl-2-purinyl]ethynyl]-1-cyclohexanol IUPAC Name: 1-[2-[6-chloro-8-(2-fluorophenyl)-9-methylpurin-2-yl]ethynyl]cyclohexan-1-ol Traditional Name: 1-[2-[6-chloro-8-(2-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]cyclohexanol Formula: C20H18ClFN4O MolecularWeight: 384.834523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)Cl)N=C1C4=CC=CC=C4F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)Cl)N=C1C4=CC=CC=C4F

InChI

InChI=1S/C20H18ClFN4O/c1-26-18(13-7-3-4-8-14(13)22)25-16-17(21)23-15(24-19(16)26)9-12-20(27)10-5-2-6-11-20/h3-4,7-8,27H,2,5-6,10-11H2,1H3