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

Systemtic Name: 1-[2-[6-azanyl-8-(3-fluorophenyl)-9-phenyl-purin-2-yl]ethynyl]cyclohexan-1-ol Openeye Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-phenyl-purin-2-yl]ethynyl]cyclohexanol CAS Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-phenyl-2-purinyl]ethynyl]-1-cyclohexanol IUPAC Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-phenylpurin-2-yl]ethynyl]cyclohexan-1-ol Traditional Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-phenyl-purin-2-yl]ethynyl]cyclohexanol Formula: C25H22FN5O MolecularWeight: 427.473483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=NC3=C(C(=N2)N)N=C(N3C4=CC=CC=C4)C5=CC(=CC=C5)F)O

Isomeric SMILES

C1CCC(CC1)(C#CC2=NC3=C(C(=N2)N)N=C(N3C4=CC=CC=C4)C5=CC(=CC=C5)F)O

InChI

InChI=1S/C25H22FN5O/c26-18-9-7-8-17(16-18)23-30-21-22(27)28-20(12-15-25(32)13-5-2-6-14-25)29-24(21)31(23)19-10-3-1-4-11-19/h1,3-4,7-11,16,32H,2,5-6,13-14H2,(H2,27,28,29)