1-[2-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]-4-phenyl-cyclohexan-1-ol hydrochloride

Systemtic Name: 1-[2-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]-4-phenyl-cyclohexan-1-ol hydrochloride Openeye Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]-4-phenyl-cyclohexanol hydrochloride CAS Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]ethynyl]-4-phenyl-1-cyclohexanol hydrochloride IUPAC Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]-4-phenylcyclohexan-1-ol hydrochloride Traditional Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]-4-phenyl-cyclohexanol hydrochloride Formula: C26H25ClFN5O MolecularWeight: 477.961003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC3(CCC(CC3)C4=CC=CC=C4)O)N)N=C1C5=CC(=CC=C5)F.Cl

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC3(CCC(CC3)C4=CC=CC=C4)O)N)N=C1C5=CC(=CC=C5)F.Cl

InChI

InChI=1S/C26H24FN5O.ClH/c1-32-24(19-8-5-9-20(27)16-19)31-22-23(28)29-21(30-25(22)32)12-15-26(33)13-10-18(11-14-26)17-6-3-2-4-7-17;/h2-9,16,18,33H,10-11,13-14H2,1H3,(H2,28,29,30);1H