6-[2-(4-aminophenyl)ethynyl]-8-(3-fluorophenyl)-9-methyl-purin-2-amine dihydrochloride

Systemtic Name: 6-[2-(4-aminophenyl)ethynyl]-8-(3-fluorophenyl)-9-methyl-purin-2-amine dihydrochloride Openeye Name: 6-[2-(4-aminophenyl)ethynyl]-8-(3-fluorophenyl)-9-methyl-purin-2-amine dihydrochloride CAS Name: 6-[2-(4-aminophenyl)ethynyl]-8-(3-fluorophenyl)-9-methyl-2-purinamine dihydrochloride IUPAC Name: 6-[2-(4-aminophenyl)ethynyl]-8-(3-fluorophenyl)-9-methylpurin-2-amine dihydrochloride Traditional Name: [4-[2-[2-amino-8-(3-fluorophenyl)-9-methyl-purin-6-yl]ethynyl]phenyl]amine dihydrochloride Formula: C20H17Cl2FN6 MolecularWeight: 431.293583

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C(N=C(N=C21)N)C#CC3=CC=C(C=C3)N)C4=CC(=CC=C4)F.Cl.Cl

Isomeric SMILES

CN1C(=NC2=C(N=C(N=C21)N)C#CC3=CC=C(C=C3)N)C4=CC(=CC=C4)F.Cl.Cl

InChI

InChI=1S/C20H15FN6.2ClH/c1-27-18(13-3-2-4-14(21)11-13)25-17-16(24-20(23)26-19(17)27)10-7-12-5-8-15(22)9-6-12;;/h2-6,8-9,11H,22H2,1H3,(H2,23,24,26);2*1H