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

Systemtic Name: 1-[2-[6-azanyl-9-ethyl-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclobutan-1-ol hydrochloride Openeye Name: 1-[2-[6-amino-9-ethyl-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclobutanol hydrochloride CAS Name: 1-[2-[6-amino-9-ethyl-8-(3-fluorophenyl)-2-purinyl]ethynyl]-1-cyclobutanol hydrochloride IUPAC Name: 1-[2-[6-amino-9-ethyl-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclobutan-1-ol hydrochloride Traditional Name: 1-[2-[6-amino-9-ethyl-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclobutanol hydrochloride Formula: C19H19ClFN5O MolecularWeight: 387.838463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=NC(=N2)C#CC3(CCC3)O)N)N=C1C4=CC(=CC=C4)F.Cl

Isomeric SMILES

CCN1C2=C(C(=NC(=N2)C#CC3(CCC3)O)N)N=C1C4=CC(=CC=C4)F.Cl

InChI

InChI=1S/C19H18FN5O.ClH/c1-2-25-17(12-5-3-6-13(20)11-12)24-15-16(21)22-14(23-18(15)25)7-10-19(26)8-4-9-19;/h3,5-6,11,26H,2,4,8-9H2,1H3,(H2,21,22,23);1H