4-[[[2-azanyl-4-oxidanylidene-5-(trifluoromethyl)-1H-quinazolin-6-yl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[2-azanyl-4-oxidanylidene-5-(trifluoromethyl)-1H-quinazolin-6-yl]amino]methyl]benzoic acid Openeye Name: 4-[[[2-amino-4-oxo-5-(trifluoromethyl)-1H-quinazolin-6-yl]amino]methyl]benzoic acid CAS Name: 4-[[[2-amino-4-oxo-5-(trifluoromethyl)-1H-quinazolin-6-yl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-amino-4-oxo-5-(trifluoromethyl)-1H-quinazolin-6-yl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-amino-4-keto-5-(trifluoromethyl)-1H-quinazolin-6-yl]amino]methyl]benzoic acid Formula: C17H13F3N4O3 MolecularWeight: 378.30533

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C(C3=C(C=C2)NC(=NC3=O)N)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC2=C(C3=C(C=C2)NC(=NC3=O)N)C(F)(F)F)C(=O)O

InChI

InChI=1S/C17H13F3N4O3/c18-17(19,20)13-11(6-5-10-12(13)14(25)24-16(21)23-10)22-7-8-1-3-9(4-2-8)15(26)27/h1-6,22H,7H2,(H,26,27)(H3,21,23,24,25)