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

Systemtic Name: 2-[2-[6-azanyl-8-(3-fluorophenyl)-9-phenyl-purin-2-yl]ethynyl]cyclohexen-1-ol hydrochloride Openeye Name: 2-[2-[6-amino-8-(3-fluorophenyl)-9-phenyl-purin-2-yl]ethynyl]cyclohexen-1-ol hydrochloride CAS Name: 2-[2-[6-amino-8-(3-fluorophenyl)-9-phenyl-2-purinyl]ethynyl]-1-cyclohexenol hydrochloride IUPAC Name: 2-[2-[6-amino-8-(3-fluorophenyl)-9-phenylpurin-2-yl]ethynyl]cyclohexen-1-ol hydrochloride Traditional Name: 2-[2-[6-amino-8-(3-fluorophenyl)-9-phenyl-purin-2-yl]ethynyl]cyclohexen-1-ol hydrochloride Formula: C25H21ClFN5O MolecularWeight: 461.918543

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)C#CC2=NC3=C(C(=N2)N)N=C(N3C4=CC=CC=C4)C5=CC(=CC=C5)F)O.Cl

Isomeric SMILES

C1CCC(=C(C1)C#CC2=NC3=C(C(=N2)N)N=C(N3C4=CC=CC=C4)C5=CC(=CC=C5)F)O.Cl

InChI

InChI=1S/C25H20FN5O.ClH/c26-18-9-6-8-17(15-18)24-30-22-23(27)28-21(14-13-16-7-4-5-12-20(16)32)29-25(22)31(24)19-10-2-1-3-11-19;/h1-3,6,8-11,15,32H,4-5,7,12H2,(H2,27,28,29);1H