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

Systemtic Name: 2-azanyl-1-ethynyl-6-[8-(3-fluorophenyl)-9-(2-hydroxyethyl)purin-2-yl]cyclohexan-1-ol hydrochloride Openeye Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-(2-hydroxyethyl)purin-2-yl]cyclohexanol hydrochloride CAS Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-(2-hydroxyethyl)-2-purinyl]-1-cyclohexanol hydrochloride IUPAC Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-(2-hydroxyethyl)purin-2-yl]cyclohexan-1-ol hydrochloride Traditional Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-(2-hydroxyethyl)purin-2-yl]cyclohexanol hydrochloride Formula: C21H23ClFN5O2 MolecularWeight: 431.891023

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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)CCO)O.Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN5O2.ClH/c1-2-21(29)15(7-4-8-17(21)23)18-24-12-16-20(26-18)27(9-10-28)19(25-16)13-5-3-6-14(22)11-13;/h1,3,5-6,11-12,15,17,28-29H,4,7-10,23H2;1H