2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)amino]phenyl]carbonylamino]-7-fluoranyl-5-oxidanylidene-heptanoic acid

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)amino]phenyl]carbonylamino]-7-fluoranyl-5-oxidanylidene-heptanoic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)amino]benzoyl]amino]-7-fluoro-5-oxo-heptanoic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)amino]phenyl]-oxomethyl]amino]-7-fluoro-5-oxoheptanoic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)amino]benzoyl]amino]-7-fluoro-5-oxoheptanoic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)amino]benzoyl]amino]-7-fluoro-5-keto-enanthic acid Formula: C20H20FN7O5 MolecularWeight: 457.415103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)CCF)C(=O)O)NC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)CCF)C(=O)O)NC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C20H20FN7O5/c21-8-7-12(29)5-6-13(19(32)33)25-17(30)10-1-3-11(4-2-10)24-14-9-23-16-15(26-14)18(31)28-20(22)27-16/h1-4,9,13H,5-8H2,(H,24,26)(H,25,30)(H,32,33)(H3,22,23,27,28,31)