4-[5-[6-azanyl-8-(3-fluorophenyl)purin-9-yl]-2-oxidanylidene-pyridin-1-yl]butanoic acid

Systemtic Name: 4-[5-[6-azanyl-8-(3-fluorophenyl)purin-9-yl]-2-oxidanylidene-pyridin-1-yl]butanoic acid Openeye Name: 4-[5-[6-amino-8-(3-fluorophenyl)purin-9-yl]-2-oxo-1-pyridyl]butanoic acid CAS Name: 4-[5-[6-amino-8-(3-fluorophenyl)-9-purinyl]-2-oxo-1-pyridinyl]butanoic acid IUPAC Name: 4-[5-[6-amino-8-(3-fluorophenyl)purin-9-yl]-2-oxopyridin-1-yl]butanoic acid Traditional Name: 4-[5-[6-amino-8-(3-fluorophenyl)purin-9-yl]-2-keto-1-pyridyl]butyric acid Formula: C20H17FN6O3 MolecularWeight: 408.385783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)C2=NC3=C(N2C4=CN(C(=O)C=C4)CCCC(=O)O)N=CN=C3N

Isomeric SMILES

C1=CC(=CC(=C1)F)C2=NC3=C(N2C4=CN(C(=O)C=C4)CCCC(=O)O)N=CN=C3N

InChI

InChI=1S/C20H17FN6O3/c21-13-4-1-3-12(9-13)19-25-17-18(22)23-11-24-20(17)27(19)14-6-7-15(28)26(10-14)8-2-5-16(29)30/h1,3-4,6-7,9-11H,2,5,8H2,(H,29,30)(H2,22,23,24)