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

Systemtic Name: 1-[6-azanyl-8-[3,5-bis(fluoranyl)phenyl]-9-ethyl-purin-2-yl]-2-methyl-but-3-yn-2-ol Openeye Name: 1-[6-amino-8-(3,5-difluorophenyl)-9-ethyl-purin-2-yl]-2-methyl-but-3-yn-2-ol CAS Name: 1-[6-amino-8-(3,5-difluorophenyl)-9-ethyl-2-purinyl]-2-methyl-3-butyn-2-ol IUPAC Name: 1-[6-amino-8-(3,5-difluorophenyl)-9-ethylpurin-2-yl]-2-methylbut-3-yn-2-ol Traditional Name: 1-[6-amino-8-(3,5-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)CC(C)(C#C)O)N)N=C1C3=CC(=CC(=C3)F)F

Isomeric SMILES

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

InChI

InChI=1S/C18H17F2N5O/c1-4-18(3,26)9-13-22-15(21)14-17(23-13)25(5-2)16(24-14)10-6-11(19)8-12(20)7-10/h1,6-8,26H,5,9H2,2-3H3,(H2,21,22,23)