1-[4-[2-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]-4-oxidanyl-piperidin-1-yl]ethanone

Systemtic Name: 1-[4-[2-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]-4-oxidanyl-piperidin-1-yl]ethanone Openeye Name: 1-[4-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]-4-hydroxy-1-piperidyl]ethanone CAS Name: 1-[4-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]ethynyl]-4-hydroxy-1-piperidinyl]ethanone IUPAC Name: 1-[4-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]-4-hydroxypiperidin-1-yl]ethanone Traditional Name: 1-[4-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]-4-hydroxy-piperidino]ethanone Formula: C21H21FN6O2 MolecularWeight: 408.428843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)(C#CC2=NC3=C(C(=N2)N)N=C(N3C)C4=CC(=CC=C4)F)O

Isomeric SMILES

CC(=O)N1CCC(CC1)(C#CC2=NC3=C(C(=N2)N)N=C(N3C)C4=CC(=CC=C4)F)O

InChI

InChI=1S/C21H21FN6O2/c1-13(29)28-10-8-21(30,9-11-28)7-6-16-24-18(23)17-20(25-16)27(2)19(26-17)14-4-3-5-15(22)12-14/h3-5,12,30H,8-11H2,1-2H3,(H2,23,24,25)