[3-[[9-chloranyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-3-oxidanylidene-propyl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [3-[[9-chloranyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-3-oxidanylidene-propyl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [3-[[9-chloro-2-(2-furyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-3-oxo-propyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [3-[[9-chloro-2-(2-furanyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-3-oxopropyl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [3-[[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-3-oxopropyl]azanium; 2,2,2-trifluoroacetate Traditional Name: [3-[[9-chloro-2-(2-furyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-3-keto-propyl]ammonium; 2,2,2-trifluoroacetate Formula: C18H14ClF3N6O4 MolecularWeight: 470.78977

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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)CC[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)CC[NH3+].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C16H13ClN6O2.C2HF3O2/c17-9-3-4-11-10(8-9)15-21-14(12-2-1-7-25-12)22-23(15)16(19-11)20-13(24)5-6-18;3-2(4,5)1(6)7/h1-4,7-8H,5-6,18H2,(H,19,20,24);(H,6,7)