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

Systemtic Name: 2-[6-azanyl-8-[3,5-bis(fluoranyl)phenyl]-9-propyl-purin-2-yl]-1-ethynyl-cyclopentan-1-ol Openeye Name: 2-[6-amino-8-(3,5-difluorophenyl)-9-propyl-purin-2-yl]-1-ethynyl-cyclopentanol CAS Name: 2-[6-amino-8-(3,5-difluorophenyl)-9-propyl-2-purinyl]-1-ethynyl-1-cyclopentanol IUPAC Name: 2-[6-amino-8-(3,5-difluorophenyl)-9-propylpurin-2-yl]-1-ethynylcyclopentan-1-ol Traditional Name: 2-[6-amino-8-(3,5-difluorophenyl)-9-propyl-purin-2-yl]-1-ethynyl-cyclopentanol Formula: C21H21F2N5O MolecularWeight: 397.421146

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C3CCCC3(C#C)O)N)N=C1C4=CC(=CC(=C4)F)F

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C3CCCC3(C#C)O)N)N=C1C4=CC(=CC(=C4)F)F

InChI

InChI=1S/C21H21F2N5O/c1-3-8-28-19(12-9-13(22)11-14(23)10-12)25-16-17(24)26-18(27-20(16)28)15-6-5-7-21(15,29)4-2/h2,9-11,15,29H,3,5-8H2,1H3,(H2,24,26,27)