5-[6-azanyl-8-(3-fluorophenyl)-2-[2-(1-oxidanylcyclobutyl)ethynyl]purin-9-yl]-1H-pyridin-2-one

Systemtic Name: 5-[6-azanyl-8-(3-fluorophenyl)-2-[2-(1-oxidanylcyclobutyl)ethynyl]purin-9-yl]-1H-pyridin-2-one Openeye Name: 5-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclobutyl)ethynyl]purin-9-yl]-1H-pyridin-2-one CAS Name: 5-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclobutyl)ethynyl]-9-purinyl]-1H-pyridin-2-one IUPAC Name: 5-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclobutyl)ethynyl]purin-9-yl]-1H-pyridin-2-one Traditional Name: 5-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclobutyl)ethynyl]purin-9-yl]-2-pyridone Formula: C22H17FN6O2 MolecularWeight: 416.407783

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)(C#CC2=NC3=C(C(=N2)N)N=C(N3C4=CNC(=O)C=C4)C5=CC(=CC=C5)F)O

Isomeric SMILES

C1CC(C1)(C#CC2=NC3=C(C(=N2)N)N=C(N3C4=CNC(=O)C=C4)C5=CC(=CC=C5)F)O

InChI

InChI=1S/C22H17FN6O2/c23-14-4-1-3-13(11-14)20-28-18-19(24)26-16(7-10-22(31)8-2-9-22)27-21(18)29(20)15-5-6-17(30)25-12-15/h1,3-6,11-12,31H,2,8-9H2,(H,25,30)(H2,24,26,27)