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

Systemtic Name: 2-[6-azanyl-8-(3-fluorophenyl)-9-(2-hydroxyethyl)purin-2-yl]-1-ethynyl-cyclopentan-1-ol hydrochloride Openeye Name: 2-[6-amino-8-(3-fluorophenyl)-9-(2-hydroxyethyl)purin-2-yl]-1-ethynyl-cyclopentanol hydrochloride CAS Name: 2-[6-amino-8-(3-fluorophenyl)-9-(2-hydroxyethyl)-2-purinyl]-1-ethynyl-1-cyclopentanol hydrochloride IUPAC Name: 2-[6-amino-8-(3-fluorophenyl)-9-(2-hydroxyethyl)purin-2-yl]-1-ethynylcyclopentan-1-ol hydrochloride Traditional Name: 2-[6-amino-8-(3-fluorophenyl)-9-(2-hydroxyethyl)purin-2-yl]-1-ethynyl-cyclopentanol hydrochloride Formula: C20H21ClFN5O2 MolecularWeight: 417.864443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CCCC1C2=NC3=C(C(=N2)N)N=C(N3CCO)C4=CC(=CC=C4)F)O.Cl

Isomeric SMILES

C#CC1(CCCC1C2=NC3=C(C(=N2)N)N=C(N3CCO)C4=CC(=CC=C4)F)O.Cl

InChI

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