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

Systemtic Name: 3-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-(2-methylphenyl)prop-2-yn-1-ol Openeye Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-(o-tolyl)prop-2-yn-1-ol CAS Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-1-(2-methylphenyl)-2-propyn-1-ol IUPAC Name: 3-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-1-(2-methylphenyl)prop-2-yn-1-ol Traditional Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-(o-tolyl)prop-2-yn-1-ol Formula: C22H18FN5O MolecularWeight: 387.409623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C#CC2=NC3=C(C(=N2)N)N=C(N3C)C4=CC(=CC=C4)F)O

Isomeric SMILES

CC1=CC=CC=C1C(C#CC2=NC3=C(C(=N2)N)N=C(N3C)C4=CC(=CC=C4)F)O

InChI

InChI=1S/C22H18FN5O/c1-13-6-3-4-9-16(13)17(29)10-11-18-25-20(24)19-22(26-18)28(2)21(27-19)14-7-5-8-15(23)12-14/h3-9,12,17,29H,1-2H3,(H2,24,25,26)