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

Systemtic Name: 2-azanyl-1-ethynyl-6-[8-(3-fluorophenyl)-9-phenyl-purin-2-yl]cyclohexan-1-ol hydrochloride Openeye Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-phenyl-purin-2-yl]cyclohexanol hydrochloride CAS Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-phenyl-2-purinyl]-1-cyclohexanol hydrochloride IUPAC Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-phenylpurin-2-yl]cyclohexan-1-ol hydrochloride Traditional Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-phenyl-purin-2-yl]cyclohexanol hydrochloride Formula: C25H23ClFN5O MolecularWeight: 463.934423

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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)C5=CC=CC=C5)O.Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H22FN5O.ClH/c1-2-25(32)19(12-7-13-21(25)27)22-28-15-20-24(30-22)31(18-10-4-3-5-11-18)23(29-20)16-8-6-9-17(26)14-16;/h1,3-6,8-11,14-15,19,21,32H,7,12-13,27H2;1H