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

Systemtic Name: 1-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-3,4-dimethyl-pent-1-yn-3-ol hydrochloride Openeye Name: 1-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-3,4-dimethyl-pent-1-yn-3-ol hydrochloride CAS Name: 1-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-3,4-dimethyl-1-pentyn-3-ol hydrochloride IUPAC Name: 1-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-3,4-dimethylpent-1-yn-3-ol hydrochloride Traditional Name: 1-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-3,4-dimethyl-pent-1-yn-3-ol hydrochloride Formula: C19H21ClFN5O MolecularWeight: 389.854343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN5O.ClH/c1-11(2)19(3,26)9-8-14-22-16(21)15-18(23-14)25(4)17(24-15)12-6-5-7-13(20)10-12;/h5-7,10-11,26H,1-4H3,(H2,21,22,23);1H