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

Systemtic Name: 8-(3-fluorophenyl)-2-(3-methoxy-3-methyl-but-1-ynyl)-9-methyl-purin-6-amine hydrochloride Openeye Name: 8-(3-fluorophenyl)-2-(3-methoxy-3-methyl-but-1-ynyl)-9-methyl-purin-6-amine hydrochloride CAS Name: 8-(3-fluorophenyl)-2-(3-methoxy-3-methylbut-1-ynyl)-9-methyl-6-purinamine hydrochloride IUPAC Name: 8-(3-fluorophenyl)-2-(3-methoxy-3-methylbut-1-ynyl)-9-methylpurin-6-amine hydrochloride Traditional Name: [8-(3-fluorophenyl)-2-(3-methoxy-3-methyl-but-1-ynyl)-9-methyl-purin-6-yl]amine hydrochloride Formula: C18H19ClFN5O MolecularWeight: 375.827763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=NC2=C(C(=N1)N)N=C(N2C)C3=CC(=CC=C3)F)OC.Cl

Isomeric SMILES

CC(C)(C#CC1=NC2=C(C(=N1)N)N=C(N2C)C3=CC(=CC=C3)F)OC.Cl

InChI

InChI=1S/C18H18FN5O.ClH/c1-18(2,25-4)9-8-13-21-15(20)14-17(22-13)24(3)16(23-14)11-6-5-7-12(19)10-11;/h5-7,10H,1-4H3,(H2,20,21,22);1H