[6-[[9-chloranyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-6-oxidanylidene-hexyl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [6-[[9-chloranyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-6-oxidanylidene-hexyl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [6-[[9-chloro-2-(2-furyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-6-oxo-hexyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [6-[[9-chloro-2-(2-furanyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-6-oxohexyl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [6-[[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-6-oxohexyl]azanium; 2,2,2-trifluoroacetate Traditional Name: [6-[[9-chloro-2-(2-furyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-6-keto-hexyl]ammonium; 2,2,2-trifluoroacetate Formula: C21H20ClF3N6O4 MolecularWeight: 512.86951

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=NN3C(=N2)C4=C(C=CC(=C4)Cl)N=C3NC(=O)CCCCC[NH3+].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1=COC(=C1)C2=NN3C(=N2)C4=C(C=CC(=C4)Cl)N=C3NC(=O)CCCCC[NH3+].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C19H19ClN6O2.C2HF3O2/c20-12-7-8-14-13(11-12)18-24-17(15-5-4-10-28-15)25-26(18)19(22-14)23-16(27)6-2-1-3-9-21;3-2(4,5)1(6)7/h4-5,7-8,10-11H,1-3,6,9,21H2,(H,22,23,27);(H,6,7)