1-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]prop-2-yn-1-ol hydrochloride

Systemtic Name: 1-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]prop-2-yn-1-ol hydrochloride Openeye Name: 1-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]prop-2-yn-1-ol hydrochloride CAS Name: 1-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-2-propyn-1-ol hydrochloride IUPAC Name: 1-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]prop-2-yn-1-ol hydrochloride Traditional Name: 1-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]prop-2-yn-1-ol hydrochloride Formula: C15H13ClFN5O MolecularWeight: 333.748023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12FN5O.ClH/c1-3-10(22)13-19-12(17)11-15(20-13)21(2)14(18-11)8-5-4-6-9(16)7-8;/h1,4-7,10,22H,2H3,(H2,17,19,20);1H