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

Systemtic Name: 2-azanyl-1-ethynyl-6-[8-(3-fluorophenyl)-9-propan-2-yl-purin-2-yl]cyclohexan-1-ol hydrochloride Openeye Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-isopropyl-purin-2-yl]cyclohexanol hydrochloride CAS Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-propan-2-yl-2-purinyl]-1-cyclohexanol hydrochloride IUPAC Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-propan-2-ylpurin-2-yl]cyclohexan-1-ol hydrochloride Traditional Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-isopropyl-purin-2-yl]cyclohexanol hydrochloride Formula: C22H25ClFN5O MolecularWeight: 429.918203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NC2=CN=C(N=C21)C3CCCC(C3(C#C)O)N)C4=CC(=CC=C4)F.Cl

Isomeric SMILES

CC(C)N1C(=NC2=CN=C(N=C21)C3CCCC(C3(C#C)O)N)C4=CC(=CC=C4)F.Cl

InChI

InChI=1S/C22H24FN5O.ClH/c1-4-22(29)16(9-6-10-18(22)24)19-25-12-17-21(27-19)28(13(2)3)20(26-17)14-7-5-8-15(23)11-14;/h1,5,7-8,11-13,16,18,29H,6,9-10,24H2,2-3H3;1H