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

Systemtic Name: 1-[2-[6-azanyl-8-[2-(3-fluorophenyl)-4-methoxy-phenyl]-9-methyl-purin-2-yl]ethynyl]cyclohexan-1-ol Openeye Name: 1-[2-[6-amino-8-[2-(3-fluorophenyl)-4-methoxy-phenyl]-9-methyl-purin-2-yl]ethynyl]cyclohexanol CAS Name: 1-[2-[6-amino-8-[2-(3-fluorophenyl)-4-methoxyphenyl]-9-methyl-2-purinyl]ethynyl]-1-cyclohexanol IUPAC Name: 1-[2-[6-amino-8-[2-(3-fluorophenyl)-4-methoxyphenyl]-9-methylpurin-2-yl]ethynyl]cyclohexan-1-ol Traditional Name: 1-[2-[6-amino-8-[2-(3-fluorophenyl)-4-methoxy-phenyl]-9-methyl-purin-2-yl]ethynyl]cyclohexanol Formula: C27H26FN5O2 MolecularWeight: 471.526043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)N)N=C1C4=C(C=C(C=C4)OC)C5=CC(=CC=C5)F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)N)N=C1C4=C(C=C(C=C4)OC)C5=CC(=CC=C5)F

InChI

InChI=1S/C27H26FN5O2/c1-33-25(20-10-9-19(35-2)16-21(20)17-7-6-8-18(28)15-17)32-23-24(29)30-22(31-26(23)33)11-14-27(34)12-4-3-5-13-27/h6-10,15-16,34H,3-5,12-13H2,1-2H3,(H2,29,30,31)