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

Systemtic Name: 1-[2-[6-azanyl-8-(3-fluorophenyl)-9-propyl-purin-2-yl]ethynyl]cyclobutan-1-ol hydrochloride Openeye Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-propyl-purin-2-yl]ethynyl]cyclobutanol hydrochloride CAS Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-propyl-2-purinyl]ethynyl]-1-cyclobutanol hydrochloride IUPAC Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-propylpurin-2-yl]ethynyl]cyclobutan-1-ol hydrochloride Traditional Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-propyl-purin-2-yl]ethynyl]cyclobutanol hydrochloride Formula: C20H21ClFN5O MolecularWeight: 401.865043

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C#CC3(CCC3)O)N)N=C1C4=CC(=CC=C4)F.Cl

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C#CC3(CCC3)O)N)N=C1C4=CC(=CC=C4)F.Cl

InChI

InChI=1S/C20H20FN5O.ClH/c1-2-11-26-18(13-5-3-6-14(21)12-13)25-16-17(22)23-15(24-19(16)26)7-10-20(27)8-4-9-20;/h3,5-6,12,27H,2,4,8-9,11H2,1H3,(H2,22,23,24);1H