1-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-4-methyl-3-propan-2-yl-pent-1-yn-3-ol hydrochloride

Systemtic Name: 1-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-4-methyl-3-propan-2-yl-pent-1-yn-3-ol hydrochloride Openeye Name: 1-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-3-isopropyl-4-methyl-pent-1-yn-3-ol hydrochloride CAS Name: 1-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-4-methyl-3-propan-2-yl-1-pentyn-3-ol hydrochloride IUPAC Name: 1-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-4-methyl-3-propan-2-ylpent-1-yn-3-ol hydrochloride Traditional Name: 1-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-3-isopropyl-4-methyl-pent-1-yn-3-ol hydrochloride Formula: C21H25ClFN5O MolecularWeight: 417.907503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN5O.ClH/c1-12(2)21(28,13(3)4)10-9-16-24-18(23)17-20(25-16)27(5)19(26-17)14-7-6-8-15(22)11-14;/h6-8,11-13,28H,1-5H3,(H2,23,24,25);1H