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

Systemtic Name: 1-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]pent-1-yn-3-ol hydrochloride Openeye Name: 1-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]pent-1-yn-3-ol hydrochloride CAS Name: 1-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-1-pentyn-3-ol hydrochloride IUPAC Name: 1-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]pent-1-yn-3-ol hydrochloride Traditional Name: 1-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]pent-1-yn-3-ol hydrochloride Formula: C17H17ClFN5O MolecularWeight: 361.801183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16FN5O.ClH/c1-3-12(24)7-8-13-20-15(19)14-17(21-13)23(2)16(22-14)10-5-4-6-11(18)9-10;/h4-6,9,12,24H,3H2,1-2H3,(H2,19,20,21);1H