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

Systemtic Name: 1-[2-[6-azanyl-9-(4-dimethylaminophenyl)-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclohexan-1-ol Openeye Name: 1-[2-[6-amino-9-(4-dimethylaminophenyl)-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclohexanol CAS Name: 1-[2-[6-amino-9-(4-dimethylaminophenyl)-8-(3-fluorophenyl)-2-purinyl]ethynyl]-1-cyclohexanol IUPAC Name: 1-[2-[6-amino-9-(4-dimethylaminophenyl)-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclohexan-1-ol Traditional Name: 1-[2-[6-amino-9-(4-dimethylaminophenyl)-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclohexanol Formula: C27H27FN6O MolecularWeight: 470.541283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27FN6O/c1-33(2)20-9-11-21(12-10-20)34-25(18-7-6-8-19(28)17-18)32-23-24(29)30-22(31-26(23)34)13-16-27(35)14-4-3-5-15-27/h6-12,17,35H,3-5,14-15H2,1-2H3,(H2,29,30,31)