4-[[2-(fluoranylmethyl)-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoic acid

Systemtic Name: 4-[[2-(fluoranylmethyl)-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoic acid Openeye Name: 4-[[2-(fluoromethyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoic acid CAS Name: 4-[[2-(fluoromethyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]benzoic acid IUPAC Name: 4-[[2-(fluoromethyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]benzoic acid Traditional Name: 4-[[2-(fluoromethyl)-4-keto-1H-quinazolin-6-yl]methyl-propargyl-amino]benzoic acid Formula: C20H16FN3O3 MolecularWeight: 365.357743

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)CF)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)CF)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H16FN3O3/c1-2-9-24(15-6-4-14(5-7-15)20(26)27)12-13-3-8-17-16(10-13)19(25)23-18(11-21)22-17/h1,3-8,10H,9,11-12H2,(H,26,27)(H,22,23,25)