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

Systemtic Name: 1-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-4-methyl-3-propan-2-yl-pent-1-yn-3-ol Openeye Name: 1-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-3-isopropyl-4-methyl-pent-1-yn-3-ol CAS Name: 1-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-4-methyl-3-propan-2-yl-1-pentyn-3-ol IUPAC Name: 1-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-4-methyl-3-propan-2-ylpent-1-yn-3-ol Traditional Name: 1-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-3-isopropyl-4-methyl-pent-1-yn-3-ol Formula: C21H24FN5O MolecularWeight: 381.446563

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN5O/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)