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

Systemtic Name: 2-azanyl-6-[8-[3,5-bis(fluoranyl)phenyl]-9-methyl-purin-2-yl]-1-ethynyl-cyclohexan-1-ol Openeye Name: 2-amino-6-[8-(3,5-difluorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclohexanol CAS Name: 2-amino-6-[8-(3,5-difluorophenyl)-9-methyl-2-purinyl]-1-ethynyl-1-cyclohexanol IUPAC Name: 2-amino-6-[8-(3,5-difluorophenyl)-9-methylpurin-2-yl]-1-ethynylcyclohexan-1-ol Traditional Name: 2-amino-6-[8-(3,5-difluorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclohexanol Formula: C20H19F2N5O MolecularWeight: 383.394566

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CN=C(N=C21)C3CCCC(C3(C#C)O)N)C4=CC(=CC(=C4)F)F

Isomeric SMILES

CN1C(=NC2=CN=C(N=C21)C3CCCC(C3(C#C)O)N)C4=CC(=CC(=C4)F)F

InChI

InChI=1S/C20H19F2N5O/c1-3-20(28)14(5-4-6-16(20)23)17-24-10-15-19(26-17)27(2)18(25-15)11-7-12(21)9-13(22)8-11/h1,7-10,14,16,28H,4-6,23H2,2H3