3-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-morpholin-4-yl-prop-2-yn-1-one

Systemtic Name: 3-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-morpholin-4-yl-prop-2-yn-1-one Openeye Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-morpholino-prop-2-yn-1-one CAS Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-1-(4-morpholinyl)-2-propyn-1-one IUPAC Name: 3-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-1-morpholin-4-ylprop-2-yn-1-one Traditional Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-morpholino-prop-2-yn-1-one Formula: C19H17FN6O2 MolecularWeight: 380.375683

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC(=O)N3CCOCC3)N)N=C1C4=CC(=CC=C4)F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC(=O)N3CCOCC3)N)N=C1C4=CC(=CC=C4)F

InChI

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