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

Systemtic Name: 2-[3-(dimethylamino)prop-1-ynyl]-8-(3-fluorophenyl)-9-methyl-purin-6-amine dihydrochloride Openeye Name: 2-[3-(dimethylamino)prop-1-ynyl]-8-(3-fluorophenyl)-9-methyl-purin-6-amine dihydrochloride CAS Name: 2-[3-(dimethylamino)prop-1-ynyl]-8-(3-fluorophenyl)-9-methyl-6-purinamine dihydrochloride IUPAC Name: 2-[3-(dimethylamino)prop-1-ynyl]-8-(3-fluorophenyl)-9-methylpurin-6-amine dihydrochloride Traditional Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]prop-2-ynyl-dimethyl-amine dihydrochloride Formula: C17H19Cl2FN6 MolecularWeight: 397.277363

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CCN(C)C)N)N=C1C3=CC(=CC=C3)F.Cl.Cl

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CCN(C)C)N)N=C1C3=CC(=CC=C3)F.Cl.Cl

InChI

InChI=1S/C17H17FN6.2ClH/c1-23(2)9-5-8-13-20-15(19)14-17(21-13)24(3)16(22-14)11-6-4-7-12(18)10-11;;/h4,6-7,10H,9H2,1-3H3,(H2,19,20,21);2*1H