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

Systemtic Name: 2-[6-azanyl-8-[3,5-bis(fluoranyl)phenyl]-9-cyclopropyl-purin-2-yl]-1-ethynyl-cyclopentan-1-ol Openeye Name: 2-[6-amino-9-cyclopropyl-8-(3,5-difluorophenyl)purin-2-yl]-1-ethynyl-cyclopentanol CAS Name: 2-[6-amino-9-cyclopropyl-8-(3,5-difluorophenyl)-2-purinyl]-1-ethynyl-1-cyclopentanol IUPAC Name: 2-[6-amino-9-cyclopropyl-8-(3,5-difluorophenyl)purin-2-yl]-1-ethynylcyclopentan-1-ol Traditional Name: 2-[6-amino-9-cyclopropyl-8-(3,5-difluorophenyl)purin-2-yl]-1-ethynyl-cyclopentanol Formula: C21H19F2N5O MolecularWeight: 395.405266

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CCCC1C2=NC3=C(C(=N2)N)N=C(N3C4CC4)C5=CC(=CC(=C5)F)F)O

Isomeric SMILES

C#CC1(CCCC1C2=NC3=C(C(=N2)N)N=C(N3C4CC4)C5=CC(=CC(=C5)F)F)O

InChI

InChI=1S/C21H19F2N5O/c1-2-21(29)7-3-4-15(21)18-26-17(24)16-20(27-18)28(14-5-6-14)19(25-16)11-8-12(22)10-13(23)9-11/h1,8-10,14-15,29H,3-7H2,(H2,24,26,27)