2-[6-azanyl-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-1-ethynyl-cyclobutan-1-ol hydrochloride

Systemtic Name: 2-[6-azanyl-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-1-ethynyl-cyclobutan-1-ol hydrochloride Openeye Name: 2-[6-amino-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-1-ethynyl-cyclobutanol hydrochloride CAS Name: 2-[6-amino-9-ethyl-8-(3-fluorophenyl)-2-purinyl]-1-ethynyl-1-cyclobutanol hydrochloride IUPAC Name: 2-[6-amino-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-1-ethynylcyclobutan-1-ol hydrochloride Traditional Name: 2-[6-amino-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-1-ethynyl-cyclobutanol hydrochloride Formula: C19H19ClFN5O MolecularWeight: 387.838463

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN5O.ClH/c1-3-19(26)9-8-13(19)16-23-15(21)14-18(24-16)25(4-2)17(22-14)11-6-5-7-12(20)10-11;/h1,5-7,10,13,26H,4,8-9H2,2H3,(H2,21,23,24);1H