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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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