4-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-2-pyridin-3-yl-but-3-yn-2-ol

Systemtic Name: 4-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-2-pyridin-3-yl-but-3-yn-2-ol Openeye Name: 4-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-2-(3-pyridyl)but-3-yn-2-ol CAS Name: 4-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-2-(3-pyridinyl)-3-butyn-2-ol IUPAC Name: 4-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-2-pyridin-3-ylbut-3-yn-2-ol Traditional Name: 4-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-2-(3-pyridyl)but-3-yn-2-ol Formula: C21H17FN6O MolecularWeight: 388.397683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=NC2=C(C(=N1)N)N=C(N2C)C3=CC(=CC=C3)F)(C4=CN=CC=C4)O

Isomeric SMILES

CC(C#CC1=NC2=C(C(=N1)N)N=C(N2C)C3=CC(=CC=C3)F)(C4=CN=CC=C4)O

InChI

InChI=1S/C21H17FN6O/c1-21(29,14-6-4-10-24-12-14)9-8-16-25-18(23)17-20(26-16)28(2)19(27-17)13-5-3-7-15(22)11-13/h3-7,10-12,29H,1-2H3,(H2,23,25,26)