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

Systemtic Name: 2-[5-[6-azanyl-8-(3-fluorophenyl)purin-9-yl]-2-oxidanylidene-pyridin-1-yl]ethanoic acid Openeye Name: 2-[5-[6-amino-8-(3-fluorophenyl)purin-9-yl]-2-oxo-1-pyridyl]acetic acid CAS Name: 2-[5-[6-amino-8-(3-fluorophenyl)-9-purinyl]-2-oxo-1-pyridinyl]acetic acid IUPAC Name: 2-[5-[6-amino-8-(3-fluorophenyl)purin-9-yl]-2-oxopyridin-1-yl]acetic acid Traditional Name: 2-[5-[6-amino-8-(3-fluorophenyl)purin-9-yl]-2-keto-1-pyridyl]acetic acid Formula: C18H13FN6O3 MolecularWeight: 380.332623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13FN6O3/c19-11-3-1-2-10(6-11)17-23-15-16(20)21-9-22-18(15)25(17)12-4-5-13(26)24(7-12)8-14(27)28/h1-7,9H,8H2,(H,27,28)(H2,20,21,22)