1-(2-azanylmorpholin-4-yl)-3-[8-(3-fluorophenyl)-9-methyl-purin-2-yl]prop-2-yn-1-one

Systemtic Name: 1-(2-azanylmorpholin-4-yl)-3-[8-(3-fluorophenyl)-9-methyl-purin-2-yl]prop-2-yn-1-one Openeye Name: 1-(2-aminomorpholin-4-yl)-3-[8-(3-fluorophenyl)-9-methyl-purin-2-yl]prop-2-yn-1-one CAS Name: 1-(2-amino-4-morpholinyl)-3-[8-(3-fluorophenyl)-9-methyl-2-purinyl]-2-propyn-1-one IUPAC Name: 1-(2-aminomorpholin-4-yl)-3-[8-(3-fluorophenyl)-9-methylpurin-2-yl]prop-2-yn-1-one Traditional Name: 1-(2-aminomorpholino)-3-[8-(3-fluorophenyl)-9-methyl-purin-2-yl]prop-2-yn-1-one Formula: C19H17FN6O2 MolecularWeight: 380.375683

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CN=C(N=C21)C#CC(=O)N3CCOC(C3)N)C4=CC(=CC=C4)F

Isomeric SMILES

CN1C(=NC2=CN=C(N=C21)C#CC(=O)N3CCOC(C3)N)C4=CC(=CC=C4)F

InChI

InChI=1S/C19H17FN6O2/c1-25-18(12-3-2-4-13(20)9-12)23-14-10-22-16(24-19(14)25)5-6-17(27)26-7-8-28-15(21)11-26/h2-4,9-10,15H,7-8,11,21H2,1H3