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

Systemtic Name: 2-[6-azanyl-8-[3,5-bis(fluoranyl)phenyl]-9-ethyl-purin-2-yl]-1-ethynyl-cyclobutan-1-ol Openeye Name: 2-[6-amino-8-(3,5-difluorophenyl)-9-ethyl-purin-2-yl]-1-ethynyl-cyclobutanol CAS Name: 2-[6-amino-8-(3,5-difluorophenyl)-9-ethyl-2-purinyl]-1-ethynyl-1-cyclobutanol IUPAC Name: 2-[6-amino-8-(3,5-difluorophenyl)-9-ethylpurin-2-yl]-1-ethynylcyclobutan-1-ol Traditional Name: 2-[6-amino-8-(3,5-difluorophenyl)-9-ethyl-purin-2-yl]-1-ethynyl-cyclobutanol Formula: C19H17F2N5O MolecularWeight: 369.367986

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=NC(=N2)C3CCC3(C#C)O)N)N=C1C4=CC(=CC(=C4)F)F

Isomeric SMILES

CCN1C2=C(C(=NC(=N2)C3CCC3(C#C)O)N)N=C1C4=CC(=CC(=C4)F)F

InChI

InChI=1S/C19H17F2N5O/c1-3-19(27)6-5-13(19)16-24-15(22)14-18(25-16)26(4-2)17(23-14)10-7-11(20)9-12(21)8-10/h1,7-9,13,27H,4-6H2,2H3,(H2,22,24,25)