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

Systemtic Name: 2-azanyl-1-ethynyl-6-[8-(3-fluorophenyl)-9-phenethyl-purin-2-yl]cyclohexan-1-ol hydrochloride Openeye Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-phenethyl-purin-2-yl]cyclohexanol hydrochloride CAS Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-phenethyl-2-purinyl]-1-cyclohexanol hydrochloride IUPAC Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-phenethylpurin-2-yl]cyclohexan-1-ol hydrochloride Traditional Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-phenethyl-purin-2-yl]cyclohexanol hydrochloride Formula: C27H27ClFN5O MolecularWeight: 491.987583

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(CCCC1N)C2=NC=C3C(=N2)N(C(=N3)C4=CC(=CC=C4)F)CCC5=CC=CC=C5)O.Cl

Isomeric SMILES

C#CC1(C(CCCC1N)C2=NC=C3C(=N2)N(C(=N3)C4=CC(=CC=C4)F)CCC5=CC=CC=C5)O.Cl

InChI

InChI=1S/C27H26FN5O.ClH/c1-2-27(34)21(12-7-13-23(27)29)24-30-17-22-26(32-24)33(15-14-18-8-4-3-5-9-18)25(31-22)19-10-6-11-20(28)16-19;/h1,3-6,8-11,16-17,21,23,34H,7,12-15,29H2;1H