4-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]butanoate

Systemtic Name: 4-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]butanoate Openeye Name: 4-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]butanoate CAS Name: 4-[[6-bromo-2-(trifluoromethyl)-4-quinazolinyl]amino]butanoate IUPAC Name: 4-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]butanoate Traditional Name: 4-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]butyrate Formula: C13H10BrF3N3O2- MolecularWeight: 377.13661

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=NC(=N2)C(F)(F)F)NCCCC(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=NC(=N2)C(F)(F)F)NCCCC(=O)[O-]

InChI

InChI=1S/C13H11BrF3N3O2/c14-7-3-4-9-8(6-7)11(18-5-1-2-10(21)22)20-12(19-9)13(15,16)17/h3-4,6H,1-2,5H2,(H,21,22)(H,18,19,20)/p-1