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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)N)N=C1C4=CC(=CC=C4)F.Cl

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)N)N=C1C4=CC(=CC=C4)F.Cl

InChI

InChI=1S/C22H24FN5O.ClH/c1-2-13-28-20(15-7-6-8-16(23)14-15)27-18-19(24)25-17(26-21(18)28)9-12-22(29)10-4-3-5-11-22;/h6-8,14,29H,2-5,10-11,13H2,1H3,(H2,24,25,26);1H