2-[6-azanyl-8-[3,5-bis(fluoranyl)phenyl]-9-cyclopropyl-purin-2-yl]-1-ethynyl-cyclobutan-1-ol

Systemtic Name: 2-[6-azanyl-8-[3,5-bis(fluoranyl)phenyl]-9-cyclopropyl-purin-2-yl]-1-ethynyl-cyclobutan-1-ol Openeye Name: 2-[6-amino-9-cyclopropyl-8-(3,5-difluorophenyl)purin-2-yl]-1-ethynyl-cyclobutanol CAS Name: 2-[6-amino-9-cyclopropyl-8-(3,5-difluorophenyl)-2-purinyl]-1-ethynyl-1-cyclobutanol IUPAC Name: 2-[6-amino-9-cyclopropyl-8-(3,5-difluorophenyl)purin-2-yl]-1-ethynylcyclobutan-1-ol Traditional Name: 2-[6-amino-9-cyclopropyl-8-(3,5-difluorophenyl)purin-2-yl]-1-ethynyl-cyclobutanol Formula: C20H17F2N5O MolecularWeight: 381.378686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CCC1C2=NC3=C(C(=N2)N)N=C(N3C4CC4)C5=CC(=CC(=C5)F)F)O

Isomeric SMILES

C#CC1(CCC1C2=NC3=C(C(=N2)N)N=C(N3C4CC4)C5=CC(=CC(=C5)F)F)O

InChI

InChI=1S/C20H17F2N5O/c1-2-20(28)6-5-14(20)17-25-16(23)15-19(26-17)27(13-3-4-13)18(24-15)10-7-11(21)9-12(22)8-10/h1,7-9,13-14,28H,3-6H2,(H2,23,25,26)