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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC2=CN=C(N=C21)C3CCCC(C3(C#C)O)N)C4=CC(=CC=C4)F.Cl

Isomeric SMILES

CCCN1C(=NC2=CN=C(N=C21)C3CCCC(C3(C#C)O)N)C4=CC(=CC=C4)F.Cl

InChI

InChI=1S/C22H24FN5O.ClH/c1-3-11-28-20(14-7-5-8-15(23)12-14)26-17-13-25-19(27-21(17)28)16-9-6-10-18(24)22(16,29)4-2;/h2,5,7-8,12-13,16,18,29H,3,6,9-11,24H2,1H3;1H