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

Systemtic Name: 2-[6-azanyl-8-[2,5-bis(fluoranyl)phenyl]-9-propyl-purin-2-yl]-1-ethynyl-cyclobutan-1-ol Openeye Name: 2-[6-amino-8-(2,5-difluorophenyl)-9-propyl-purin-2-yl]-1-ethynyl-cyclobutanol CAS Name: 2-[6-amino-8-(2,5-difluorophenyl)-9-propyl-2-purinyl]-1-ethynyl-1-cyclobutanol IUPAC Name: 2-[6-amino-8-(2,5-difluorophenyl)-9-propylpurin-2-yl]-1-ethynylcyclobutan-1-ol Traditional Name: 2-[6-amino-8-(2,5-difluorophenyl)-9-propyl-purin-2-yl]-1-ethynyl-cyclobutanol Formula: C20H19F2N5O MolecularWeight: 383.394566

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C3CCC3(C#C)O)N)N=C1C4=C(C=CC(=C4)F)F

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C3CCC3(C#C)O)N)N=C1C4=C(C=CC(=C4)F)F

InChI

InChI=1S/C20H19F2N5O/c1-3-9-27-18(12-10-11(21)5-6-14(12)22)24-15-16(23)25-17(26-19(15)27)13-7-8-20(13,28)4-2/h2,5-6,10,13,28H,3,7-9H2,1H3,(H2,23,25,26)