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

Systemtic Name: 2-[6-azanyl-8-[3,5-bis(fluoranyl)phenyl]-9-methyl-purin-2-yl]-1-ethynyl-cyclobutan-1-ol Openeye Name: 2-[6-amino-8-(3,5-difluorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclobutanol CAS Name: 2-[6-amino-8-(3,5-difluorophenyl)-9-methyl-2-purinyl]-1-ethynyl-1-cyclobutanol IUPAC Name: 2-[6-amino-8-(3,5-difluorophenyl)-9-methylpurin-2-yl]-1-ethynylcyclobutan-1-ol Traditional Name: 2-[6-amino-8-(3,5-difluorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclobutanol Formula: C18H15F2N5O MolecularWeight: 355.341406

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CCC3(C#C)O)N)N=C1C4=CC(=CC(=C4)F)F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CCC3(C#C)O)N)N=C1C4=CC(=CC(=C4)F)F

InChI

InChI=1S/C18H15F2N5O/c1-3-18(26)5-4-12(18)15-23-14(21)13-17(24-15)25(2)16(22-13)9-6-10(19)8-11(20)7-9/h1,6-8,12,26H,4-5H2,2H3,(H2,21,23,24)