5-[6-azanyl-8-(3-fluorophenyl)-2-(3-methyl-3-oxidanyl-butyl)purin-9-yl]-1-methyl-pyridin-2-one

Systemtic Name: 5-[6-azanyl-8-(3-fluorophenyl)-2-(3-methyl-3-oxidanyl-butyl)purin-9-yl]-1-methyl-pyridin-2-one Openeye Name: 5-[6-amino-8-(3-fluorophenyl)-2-(3-hydroxy-3-methyl-butyl)purin-9-yl]-1-methyl-pyridin-2-one CAS Name: 5-[6-amino-8-(3-fluorophenyl)-2-(3-hydroxy-3-methylbutyl)-9-purinyl]-1-methyl-2-pyridinone IUPAC Name: 5-[6-amino-8-(3-fluorophenyl)-2-(3-hydroxy-3-methylbutyl)purin-9-yl]-1-methylpyridin-2-one Traditional Name: 5-[6-amino-8-(3-fluorophenyl)-2-(3-hydroxy-3-methyl-butyl)purin-9-yl]-1-methyl-2-pyridone Formula: C22H23FN6O2 MolecularWeight: 422.455423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC1=NC2=C(C(=N1)N)N=C(N2C3=CN(C(=O)C=C3)C)C4=CC(=CC=C4)F)O

Isomeric SMILES

CC(C)(CCC1=NC2=C(C(=N1)N)N=C(N2C3=CN(C(=O)C=C3)C)C4=CC(=CC=C4)F)O

InChI

InChI=1S/C22H23FN6O2/c1-22(2,31)10-9-16-25-19(24)18-21(26-16)29(15-7-8-17(30)28(3)12-15)20(27-18)13-5-4-6-14(23)11-13/h4-8,11-12,31H,9-10H2,1-3H3,(H2,24,25,26)