8-(3-fluorophenyl)-9-methyl-2-(3-phenylprop-1-ynyl)purin-6-amine hydrochloride

Systemtic Name: 8-(3-fluorophenyl)-9-methyl-2-(3-phenylprop-1-ynyl)purin-6-amine hydrochloride Openeye Name: 8-(3-fluorophenyl)-9-methyl-2-(3-phenylprop-1-ynyl)purin-6-amine hydrochloride CAS Name: 8-(3-fluorophenyl)-9-methyl-2-(3-phenylprop-1-ynyl)-6-purinamine hydrochloride IUPAC Name: 8-(3-fluorophenyl)-9-methyl-2-(3-phenylprop-1-ynyl)purin-6-amine hydrochloride Traditional Name: [8-(3-fluorophenyl)-9-methyl-2-(3-phenylprop-1-ynyl)purin-6-yl]amine hydrochloride Formula: C21H17ClFN5 MolecularWeight: 393.844583

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CCC3=CC=CC=C3)N)N=C1C4=CC(=CC=C4)F.Cl

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CCC3=CC=CC=C3)N)N=C1C4=CC(=CC=C4)F.Cl

InChI

InChI=1S/C21H16FN5.ClH/c1-27-20(15-10-6-11-16(22)13-15)26-18-19(23)24-17(25-21(18)27)12-5-9-14-7-3-2-4-8-14;/h2-4,6-8,10-11,13H,9H2,1H3,(H2,23,24,25);1H