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

Systemtic Name: 2-[6-azanyl-8-[3,5-bis(fluoranyl)phenyl]-9-ethyl-purin-2-yl]-1-ethynyl-cyclopentan-1-ol Openeye Name: 2-[6-amino-8-(3,5-difluorophenyl)-9-ethyl-purin-2-yl]-1-ethynyl-cyclopentanol CAS Name: 2-[6-amino-8-(3,5-difluorophenyl)-9-ethyl-2-purinyl]-1-ethynyl-1-cyclopentanol IUPAC Name: 2-[6-amino-8-(3,5-difluorophenyl)-9-ethylpurin-2-yl]-1-ethynylcyclopentan-1-ol Traditional Name: 2-[6-amino-8-(3,5-difluorophenyl)-9-ethyl-purin-2-yl]-1-ethynyl-cyclopentanol Formula: C20H19F2N5O MolecularWeight: 383.394566

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=NC(=N2)C3CCCC3(C#C)O)N)N=C1C4=CC(=CC(=C4)F)F

Isomeric SMILES

CCN1C2=C(C(=NC(=N2)C3CCCC3(C#C)O)N)N=C1C4=CC(=CC(=C4)F)F

InChI

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