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

Systemtic Name: 1-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-3,4,4-trimethyl-pent-1-yn-3-ol hydrochloride Openeye Name: 1-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-3,4,4-trimethyl-pent-1-yn-3-ol hydrochloride CAS Name: 1-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-3,4,4-trimethyl-1-pentyn-3-ol hydrochloride IUPAC Name: 1-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-3,4,4-trimethylpent-1-yn-3-ol hydrochloride Traditional Name: 1-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-3,4,4-trimethyl-pent-1-yn-3-ol hydrochloride Formula: C20H23ClFN5O MolecularWeight: 403.880923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H22FN5O.ClH/c1-19(2,3)20(4,27)10-9-14-23-16(22)15-18(24-14)26(5)17(25-15)12-7-6-8-13(21)11-12;/h6-8,11,27H,1-5H3,(H2,22,23,24);1H