3-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-N-phenyl-prop-2-ynamide

Systemtic Name: 3-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-N-phenyl-prop-2-ynamide Openeye Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-N-phenyl-prop-2-ynamide CAS Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-N-phenyl-2-propynamide IUPAC Name: 3-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-N-phenylprop-2-ynamide Traditional Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-N-phenyl-propiolamide Formula: C21H15FN6O MolecularWeight: 386.381803

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC(=O)NC3=CC=CC=C3)N)N=C1C4=CC(=CC=C4)F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC(=O)NC3=CC=CC=C3)N)N=C1C4=CC(=CC=C4)F

InChI

InChI=1S/C21H15FN6O/c1-28-20(13-6-5-7-14(22)12-13)27-18-19(23)25-16(26-21(18)28)10-11-17(29)24-15-8-3-2-4-9-15/h2-9,12H,1H3,(H,24,29)(H2,23,25,26)