2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-3,3-bis(fluoranyl)pentanedioic acid

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-3,3-bis(fluoranyl)pentanedioic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-3,3-difluoro-pentanedioic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-3,3-difluoropentanedioic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-3,3-difluoropentanedioic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]-3,3-difluoro-glutaric acid Formula: C19H17F2N7O6 MolecularWeight: 477.378386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(C(=O)O)C(CC(=O)O)(F)F)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(C(=O)O)C(CC(=O)O)(F)F)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C19H17F2N7O6/c20-19(21,5-11(29)30)13(17(33)34)26-15(31)8-1-3-9(4-2-8)23-6-10-7-24-14-12(25-10)16(32)28-18(22)27-14/h1-4,7,13,23H,5-6H2,(H,26,31)(H,29,30)(H,33,34)(H3,22,24,27,28,32)