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

Systemtic Name: 5-[6-azanyl-8-(3-fluorophenyl)-2-pentyl-purin-9-yl]-1H-pyridin-2-one Openeye Name: 5-[6-amino-8-(3-fluorophenyl)-2-pentyl-purin-9-yl]-1H-pyridin-2-one CAS Name: 5-[6-amino-8-(3-fluorophenyl)-2-pentyl-9-purinyl]-1H-pyridin-2-one IUPAC Name: 5-[6-amino-8-(3-fluorophenyl)-2-pentylpurin-9-yl]-1H-pyridin-2-one Traditional Name: 5-[6-amino-2-amyl-8-(3-fluorophenyl)purin-9-yl]-2-pyridone Formula: C21H21FN6O MolecularWeight: 392.429443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC2=C(C(=N1)N)N=C(N2C3=CNC(=O)C=C3)C4=CC(=CC=C4)F

Isomeric SMILES

CCCCCC1=NC2=C(C(=N1)N)N=C(N2C3=CNC(=O)C=C3)C4=CC(=CC=C4)F

InChI

InChI=1S/C21H21FN6O/c1-2-3-4-8-16-25-19(23)18-21(26-16)28(15-9-10-17(29)24-12-15)20(27-18)13-6-5-7-14(22)11-13/h5-7,9-12H,2-4,8H2,1H3,(H,24,29)(H2,23,25,26)