2-(2-aminophenyl)-1-[8-(3-fluorophenyl)-9-methyl-purin-2-yl]but-3-yn-2-ol

Systemtic Name: 2-(2-aminophenyl)-1-[8-(3-fluorophenyl)-9-methyl-purin-2-yl]but-3-yn-2-ol Openeye Name: 2-(2-aminophenyl)-1-[8-(3-fluorophenyl)-9-methyl-purin-2-yl]but-3-yn-2-ol CAS Name: 2-(2-aminophenyl)-1-[8-(3-fluorophenyl)-9-methyl-2-purinyl]-3-butyn-2-ol IUPAC Name: 2-(2-aminophenyl)-1-[8-(3-fluorophenyl)-9-methylpurin-2-yl]but-3-yn-2-ol Traditional Name: 2-(2-aminophenyl)-1-[8-(3-fluorophenyl)-9-methyl-purin-2-yl]but-3-yn-2-ol Formula: C22H18FN5O MolecularWeight: 387.409623

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CN=C(N=C21)CC(C#C)(C3=CC=CC=C3N)O)C4=CC(=CC=C4)F

Isomeric SMILES

CN1C(=NC2=CN=C(N=C21)CC(C#C)(C3=CC=CC=C3N)O)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H18FN5O/c1-3-22(29,16-9-4-5-10-17(16)24)12-19-25-13-18-21(27-19)28(2)20(26-18)14-7-6-8-15(23)11-14/h1,4-11,13,29H,12,24H2,2H3