1-[6-azanyl-8-[3,5-bis(fluoranyl)phenyl]-9-ethyl-purin-2-yl]-3-ethyl-pent-1-yn-3-ol

Systemtic Name: 1-[6-azanyl-8-[3,5-bis(fluoranyl)phenyl]-9-ethyl-purin-2-yl]-3-ethyl-pent-1-yn-3-ol Openeye Name: 1-[6-amino-8-(3,5-difluorophenyl)-9-ethyl-purin-2-yl]-3-ethyl-pent-1-yn-3-ol CAS Name: 1-[6-amino-8-(3,5-difluorophenyl)-9-ethyl-2-purinyl]-3-ethyl-1-pentyn-3-ol IUPAC Name: 1-[6-amino-8-(3,5-difluorophenyl)-9-ethylpurin-2-yl]-3-ethylpent-1-yn-3-ol Traditional Name: 1-[6-amino-8-(3,5-difluorophenyl)-9-ethyl-purin-2-yl]-3-ethyl-pent-1-yn-3-ol Formula: C20H21F2N5O MolecularWeight: 385.410446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#CC1=NC2=C(C(=N1)N)N=C(N2CC)C3=CC(=CC(=C3)F)F)O

Isomeric SMILES

CCC(CC)(C#CC1=NC2=C(C(=N1)N)N=C(N2CC)C3=CC(=CC(=C3)F)F)O

InChI

InChI=1S/C20H21F2N5O/c1-4-20(28,5-2)8-7-15-24-17(23)16-19(25-15)27(6-3)18(26-16)12-9-13(21)11-14(22)10-12/h9-11,28H,4-6H2,1-3H3,(H2,23,24,25)