2-[6-azanyl-8-(1-benzofuran-2-yl)-9-methyl-purin-2-yl]-1-ethynyl-cyclohexan-1-ol hydrochloride

Systemtic Name: 2-[6-azanyl-8-(1-benzofuran-2-yl)-9-methyl-purin-2-yl]-1-ethynyl-cyclohexan-1-ol hydrochloride Openeye Name: 2-[6-amino-8-(benzofuran-2-yl)-9-methyl-purin-2-yl]-1-ethynyl-cyclohexanol hydrochloride CAS Name: 2-[6-amino-8-(2-benzofuranyl)-9-methyl-2-purinyl]-1-ethynyl-1-cyclohexanol hydrochloride IUPAC Name: 2-[6-amino-8-(1-benzofuran-2-yl)-9-methylpurin-2-yl]-1-ethynylcyclohexan-1-ol hydrochloride Traditional Name: 2-[6-amino-8-(benzofuran-2-yl)-9-methyl-purin-2-yl]-1-ethynyl-cyclohexanol hydrochloride Formula: C22H22ClN5O2 MolecularWeight: 423.89538

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CCCCC3(C#C)O)N)N=C1C4=CC5=CC=CC=C5O4.Cl

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CCCCC3(C#C)O)N)N=C1C4=CC5=CC=CC=C5O4.Cl

InChI

InChI=1S/C22H21N5O2.ClH/c1-3-22(28)11-7-6-9-14(22)19-25-18(23)17-21(26-19)27(2)20(24-17)16-12-13-8-4-5-10-15(13)29-16;/h1,4-5,8,10,12,14,28H,6-7,9,11H2,2H3,(H2,23,25,26);1H