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

Systemtic Name: 4-[[(5-fluoranyl-2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(5-fluoro-2-methyl-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoic acid CAS Name: 4-[[(5-fluoro-2-methyl-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoic acid IUPAC Name: 4-[[(5-fluoro-2-methyl-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(5-fluoro-4-keto-2-methyl-1H-quinazolin-6-yl)amino]methyl]benzoic acid Formula: C17H14FN3O3 MolecularWeight: 327.309763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2F)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2F)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H14FN3O3/c1-9-20-12-6-7-13(15(18)14(12)16(22)21-9)19-8-10-2-4-11(5-3-10)17(23)24/h2-7,19H,8H2,1H3,(H,23,24)(H,20,21,22)