6-(4-aminophenyl)-1-ethynyl-8-(3-fluorophenyl)-9-methyl-6H-purin-2-amine dihydrochloride

Systemtic Name: 6-(4-aminophenyl)-1-ethynyl-8-(3-fluorophenyl)-9-methyl-6H-purin-2-amine dihydrochloride Openeye Name: 6-(4-aminophenyl)-1-ethynyl-8-(3-fluorophenyl)-9-methyl-6H-purin-2-amine dihydrochloride CAS Name: 6-(4-aminophenyl)-1-ethynyl-8-(3-fluorophenyl)-9-methyl-6H-purin-2-amine dihydrochloride IUPAC Name: 6-(4-aminophenyl)-1-ethynyl-8-(3-fluorophenyl)-9-methyl-6H-purin-2-amine dihydrochloride Traditional Name: [4-[2-amino-1-ethynyl-8-(3-fluorophenyl)-9-methyl-6H-purin-6-yl]phenyl]amine dihydrochloride Formula: C20H19Cl2FN6 MolecularWeight: 433.309463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17FN6.2ClH/c1-3-27-17(12-7-9-15(22)10-8-12)16-19(25-20(27)23)26(2)18(24-16)13-5-4-6-14(21)11-13;;/h1,4-11,17H,22H2,2H3,(H2,23,25);2*1H