8-(3-fluorophenyl)-9-methyl-2-(2-pyridin-3-ylethynyl)purin-6-amine hydrochloride

Systemtic Name: 8-(3-fluorophenyl)-9-methyl-2-(2-pyridin-3-ylethynyl)purin-6-amine hydrochloride Openeye Name: 8-(3-fluorophenyl)-9-methyl-2-[2-(3-pyridyl)ethynyl]purin-6-amine hydrochloride CAS Name: 8-(3-fluorophenyl)-9-methyl-2-[2-(3-pyridinyl)ethynyl]-6-purinamine hydrochloride IUPAC Name: 8-(3-fluorophenyl)-9-methyl-2-(2-pyridin-3-ylethynyl)purin-6-amine hydrochloride Traditional Name: [8-(3-fluorophenyl)-9-methyl-2-[2-(3-pyridyl)ethynyl]purin-6-yl]amine hydrochloride Formula: C19H14ClFN6 MolecularWeight: 380.806063

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC3=CN=CC=C3)N)N=C1C4=CC(=CC=C4)F.Cl

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC3=CN=CC=C3)N)N=C1C4=CC(=CC=C4)F.Cl

InChI

InChI=1S/C19H13FN6.ClH/c1-26-18(13-5-2-6-14(20)10-13)25-16-17(21)23-15(24-19(16)26)8-7-12-4-3-9-22-11-12;/h2-6,9-11H,1H3,(H2,21,23,24);1H