2,2,2-tris(fluoranyl)ethanoyl 4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]benzoate

Systemtic Name: 2,2,2-tris(fluoranyl)ethanoyl 4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]benzoate Openeye Name: (2,2,2-trifluoroacetyl) 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoate CAS Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoic acid (2,2,2-trifluoro-1-oxoethyl) ester IUPAC Name: (2,2,2-trifluoroacetyl) 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoate Traditional Name: 4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoic acid (2,2,2-trifluoroacetyl) ester Formula: C16H11F3N6O4 MolecularWeight: 408.29155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11F3N6O4/c17-16(18,19)14(28)29-13(27)7-1-3-8(4-2-7)21-5-9-6-22-11-10(23-9)12(26)25-15(20)24-11/h1-4,6,21H,5H2,(H3,20,22,24,25,26)