2-azanyl-1-ethynyl-6-[8-(3-fluorophenyl)-9-methyl-purin-2-yl]cyclohexane-1,4-diol hydrochloride

Systemtic Name: 2-azanyl-1-ethynyl-6-[8-(3-fluorophenyl)-9-methyl-purin-2-yl]cyclohexane-1,4-diol hydrochloride Openeye Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-methyl-purin-2-yl]cyclohexane-1,4-diol hydrochloride CAS Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-methyl-2-purinyl]cyclohexane-1,4-diol hydrochloride IUPAC Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-methylpurin-2-yl]cyclohexane-1,4-diol hydrochloride Traditional Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-methyl-purin-2-yl]cyclohexane-1,4-diol hydrochloride Formula: C20H21ClFN5O2 MolecularWeight: 417.864443

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CN=C(N=C21)C3CC(CC(C3(C#C)O)N)O)C4=CC(=CC=C4)F.Cl

Isomeric SMILES

CN1C(=NC2=CN=C(N=C21)C3CC(CC(C3(C#C)O)N)O)C4=CC(=CC=C4)F.Cl

InChI

InChI=1S/C20H20FN5O2.ClH/c1-3-20(28)14(8-13(27)9-16(20)22)17-23-10-15-19(25-17)26(2)18(24-15)11-5-4-6-12(21)7-11;/h1,4-7,10,13-14,16,27-28H,8-9,22H2,2H3;1H