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

Systemtic Name: 3-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]prop-2-yn-1-ol hydrochloride Openeye Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]prop-2-yn-1-ol hydrochloride CAS Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-2-propyn-1-ol hydrochloride IUPAC Name: 3-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]prop-2-yn-1-ol hydrochloride Traditional Name: 3-[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#CCO)N)N=C1C3=CC(=CC=C3)F.Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H12FN5O.ClH/c1-21-14(9-4-2-5-10(16)8-9)20-12-13(17)18-11(6-3-7-22)19-15(12)21;/h2,4-5,8,22H,7H2,1H3,(H2,17,18,19);1H