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

Systemtic Name: 4-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-2-phenyl-but-3-yn-2-ol Openeye Name: 4-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-2-phenyl-but-3-yn-2-ol CAS Name: 4-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-2-phenyl-3-butyn-2-ol IUPAC Name: 4-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-2-phenylbut-3-yn-2-ol Traditional Name: 4-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-2-phenyl-but-3-yn-2-ol Formula: C22H18FN5O MolecularWeight: 387.409623

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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=CC=CC=C4)O

Isomeric SMILES

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

InChI

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