1-[2-[6-azanyl-8-(3-fluoranyl-2-methyl-phenyl)-9-methyl-purin-2-yl]ethynyl]cyclopentan-1-ol hydrochloride

Systemtic Name: 1-[2-[6-azanyl-8-(3-fluoranyl-2-methyl-phenyl)-9-methyl-purin-2-yl]ethynyl]cyclopentan-1-ol hydrochloride Openeye Name: 1-[2-[6-amino-8-(3-fluoro-2-methyl-phenyl)-9-methyl-purin-2-yl]ethynyl]cyclopentanol hydrochloride CAS Name: 1-[2-[6-amino-8-(3-fluoro-2-methylphenyl)-9-methyl-2-purinyl]ethynyl]-1-cyclopentanol hydrochloride IUPAC Name: 1-[2-[6-amino-8-(3-fluoro-2-methylphenyl)-9-methylpurin-2-yl]ethynyl]cyclopentan-1-ol hydrochloride Traditional Name: 1-[2-[6-amino-8-(3-fluoro-2-methyl-phenyl)-9-methyl-purin-2-yl]ethynyl]cyclopentanol hydrochloride Formula: C20H21ClFN5O MolecularWeight: 401.865043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1F)C2=NC3=C(N2C)N=C(N=C3N)C#CC4(CCCC4)O.Cl

Isomeric SMILES

CC1=C(C=CC=C1F)C2=NC3=C(N2C)N=C(N=C3N)C#CC4(CCCC4)O.Cl

InChI

InChI=1S/C20H20FN5O.ClH/c1-12-13(6-5-7-14(12)21)18-25-16-17(22)23-15(24-19(16)26(18)2)8-11-20(27)9-3-4-10-20;/h5-7,27H,3-4,9-10H2,1-2H3,(H2,22,23,24);1H