4-[6-azanyl-8-[2,3-bis(fluoranyl)phenyl]-9-ethyl-purin-2-yl]-2-methyl-but-3-yn-2-ol

Systemtic Name: 4-[6-azanyl-8-[2,3-bis(fluoranyl)phenyl]-9-ethyl-purin-2-yl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[6-amino-8-(2,3-difluorophenyl)-9-ethyl-purin-2-yl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[6-amino-8-(2,3-difluorophenyl)-9-ethyl-2-purinyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[6-amino-8-(2,3-difluorophenyl)-9-ethylpurin-2-yl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[6-amino-8-(2,3-difluorophenyl)-9-ethyl-purin-2-yl]-2-methyl-but-3-yn-2-ol Formula: C18H17F2N5O MolecularWeight: 357.357286

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=NC(=N2)C#CC(C)(C)O)N)N=C1C3=C(C(=CC=C3)F)F

Isomeric SMILES

CCN1C2=C(C(=NC(=N2)C#CC(C)(C)O)N)N=C1C3=C(C(=CC=C3)F)F

InChI

InChI=1S/C18H17F2N5O/c1-4-25-16(10-6-5-7-11(19)13(10)20)24-14-15(21)22-12(23-17(14)25)8-9-18(2,3)26/h5-7,26H,4H2,1-3H3,(H2,21,22,23)