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

Systemtic Name: [5-[[9-chloranyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-5-oxidanylidene-pentyl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [5-[[9-chloro-2-(2-furyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-5-oxo-pentyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [5-[[9-chloro-2-(2-furanyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-5-oxopentyl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [5-[[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-5-oxopentyl]azanium; 2,2,2-trifluoroacetate Traditional Name: [5-[[9-chloro-2-(2-furyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-5-keto-pentyl]ammonium; 2,2,2-trifluoroacetate Formula: C20H18ClF3N6O4 MolecularWeight: 498.84293

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

InChI

InChI=1S/C18H17ClN6O2.C2HF3O2/c19-11-6-7-13-12(10-11)17-23-16(14-4-3-9-27-14)24-25(17)18(21-13)22-15(26)5-1-2-8-20;3-2(4,5)1(6)7/h3-4,6-7,9-10H,1-2,5,8,20H2,(H,21,22,26);(H,6,7)