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

Systemtic Name: 1-[2-[6-azanyl-9-cyclopropyl-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclobutan-1-ol hydrochloride Openeye Name: 1-[2-[6-amino-9-cyclopropyl-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclobutanol hydrochloride CAS Name: 1-[2-[6-amino-9-cyclopropyl-8-(3-fluorophenyl)-2-purinyl]ethynyl]-1-cyclobutanol hydrochloride IUPAC Name: 1-[2-[6-amino-9-cyclopropyl-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclobutan-1-ol hydrochloride Traditional Name: 1-[2-[6-amino-9-cyclopropyl-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclobutanol hydrochloride Formula: C20H19ClFN5O MolecularWeight: 399.849163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)(C#CC2=NC3=C(C(=N2)N)N=C(N3C4CC4)C5=CC(=CC=C5)F)O.Cl

Isomeric SMILES

C1CC(C1)(C#CC2=NC3=C(C(=N2)N)N=C(N3C4CC4)C5=CC(=CC=C5)F)O.Cl

InChI

InChI=1S/C20H18FN5O.ClH/c21-13-4-1-3-12(11-13)18-25-16-17(22)23-15(7-10-20(27)8-2-9-20)24-19(16)26(18)14-5-6-14;/h1,3-4,11,14,27H,2,5-6,8-9H2,(H2,22,23,24);1H