3-[3-(dimethylamino)prop-1-ynyl]-8-(3-fluorophenyl)-9-methyl-2H-purin-6-amine dihydrochloride

Systemtic Name: 3-[3-(dimethylamino)prop-1-ynyl]-8-(3-fluorophenyl)-9-methyl-2H-purin-6-amine dihydrochloride Openeye Name: 3-[3-(dimethylamino)prop-1-ynyl]-8-(3-fluorophenyl)-9-methyl-2H-purin-6-amine dihydrochloride CAS Name: 3-[3-(dimethylamino)prop-1-ynyl]-8-(3-fluorophenyl)-9-methyl-2H-purin-6-amine dihydrochloride IUPAC Name: 3-[3-(dimethylamino)prop-1-ynyl]-8-(3-fluorophenyl)-9-methyl-2H-purin-6-amine dihydrochloride Traditional Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-2H-purin-3-yl]prop-2-ynyl-dimethyl-amine dihydrochloride Formula: C17H21Cl2FN6 MolecularWeight: 399.293243

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NCN2C#CCN(C)C)N)N=C1C3=CC(=CC=C3)F.Cl.Cl

Isomeric SMILES

CN1C2=C(C(=NCN2C#CCN(C)C)N)N=C1C3=CC(=CC=C3)F.Cl.Cl

InChI

InChI=1S/C17H19FN6.2ClH/c1-22(2)8-5-9-24-11-20-15(19)14-17(24)23(3)16(21-14)12-6-4-7-13(18)10-12;;/h4,6-7,10H,8,11H2,1-3H3,(H2,19,20);2*1H