1-[2-[6-chloranyl-8-(3-fluoranyl-4-methoxy-phenyl)-9-methyl-purin-2-yl]ethynyl]cyclohexan-1-ol

Systemtic Name: 1-[2-[6-chloranyl-8-(3-fluoranyl-4-methoxy-phenyl)-9-methyl-purin-2-yl]ethynyl]cyclohexan-1-ol Openeye Name: 1-[2-[6-chloro-8-(3-fluoro-4-methoxy-phenyl)-9-methyl-purin-2-yl]ethynyl]cyclohexanol CAS Name: 1-[2-[6-chloro-8-(3-fluoro-4-methoxyphenyl)-9-methyl-2-purinyl]ethynyl]-1-cyclohexanol IUPAC Name: 1-[2-[6-chloro-8-(3-fluoro-4-methoxyphenyl)-9-methylpurin-2-yl]ethynyl]cyclohexan-1-ol Traditional Name: 1-[2-[6-chloro-8-(3-fluoro-4-methoxy-phenyl)-9-methyl-purin-2-yl]ethynyl]cyclohexanol Formula: C21H20ClFN4O2 MolecularWeight: 414.860503

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(=C(C=C4)OC)F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)Cl)N=C1C4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C21H20ClFN4O2/c1-27-19(13-6-7-15(29-2)14(23)12-13)26-17-18(22)24-16(25-20(17)27)8-11-21(28)9-4-3-5-10-21/h6-7,12,28H,3-5,9-10H2,1-2H3