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

Systemtic Name: 2-azanyl-6-[9-cyclopentyl-8-(3-fluorophenyl)purin-2-yl]-1-ethynyl-cyclohexan-1-ol hydrochloride Openeye Name: 2-amino-6-[9-cyclopentyl-8-(3-fluorophenyl)purin-2-yl]-1-ethynyl-cyclohexanol hydrochloride CAS Name: 2-amino-6-[9-cyclopentyl-8-(3-fluorophenyl)-2-purinyl]-1-ethynyl-1-cyclohexanol hydrochloride IUPAC Name: 2-amino-6-[9-cyclopentyl-8-(3-fluorophenyl)purin-2-yl]-1-ethynylcyclohexan-1-ol hydrochloride Traditional Name: 2-amino-6-[9-cyclopentyl-8-(3-fluorophenyl)purin-2-yl]-1-ethynyl-cyclohexanol hydrochloride Formula: C24H27ClFN5O MolecularWeight: 455.955483

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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)C5CCCC5)O.Cl

Isomeric SMILES

C#CC1(C(CCCC1N)C2=NC=C3C(=N2)N(C(=N3)C4=CC(=CC=C4)F)C5CCCC5)O.Cl

InChI

InChI=1S/C24H26FN5O.ClH/c1-2-24(31)18(11-6-12-20(24)26)21-27-14-19-23(29-21)30(17-9-3-4-10-17)22(28-19)15-7-5-8-16(25)13-15;/h1,5,7-8,13-14,17-18,20,31H,3-4,6,9-12,26H2;1H