3-butyl-4-oxidanylidene-8-[2,2,2-tris(fluoranyl)ethanoylamino]benzo[g]pteridin-2-olate

Systemtic Name: 3-butyl-4-oxidanylidene-8-[2,2,2-tris(fluoranyl)ethanoylamino]benzo[g]pteridin-2-olate Openeye Name: 3-butyl-4-oxo-8-[(2,2,2-trifluoroacetyl)amino]benzo[g]pteridin-2-olate CAS Name: 3-butyl-4-oxo-8-[(2,2,2-trifluoro-1-oxoethyl)amino]-2-benzo[g]pteridinolate IUPAC Name: 3-butyl-4-oxo-8-[(2,2,2-trifluoroacetyl)amino]benzo[g]pteridin-2-olate Traditional Name: 3-butyl-4-keto-8-[(2,2,2-trifluoroacetyl)amino]benzo[g]pteridin-2-olate Formula: C16H13F3N5O3- MolecularWeight: 380.30133

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=NC3=C(C=C(C=C3)NC(=O)C(F)(F)F)N=C2N=C1[O-]

Isomeric SMILES

CCCCN1C(=O)C2=NC3=C(C=C(C=C3)NC(=O)C(F)(F)F)N=C2N=C1[O-]

InChI

InChI=1S/C16H14F3N5O3/c1-2-3-6-24-13(25)11-12(23-15(24)27)22-10-7-8(4-5-9(10)21-11)20-14(26)16(17,18)19/h4-5,7H,2-3,6H2,1H3,(H,20,26)(H,22,23,27)/p-1