2-[[2-fluoranyl-4-[1-(4-oxidanylidene-1H-quinazolin-6-yl)but-3-yn-2-ylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[2-fluoranyl-4-[1-(4-oxidanylidene-1H-quinazolin-6-yl)but-3-yn-2-ylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[2-fluoro-4-[1-[(4-oxo-1H-quinazolin-6-yl)methyl]prop-2-ynylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[2-fluoro-4-[1-(4-oxo-1H-quinazolin-6-yl)but-3-yn-2-ylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[2-fluoro-4-[1-(4-oxo-1H-quinazolin-6-yl)but-3-yn-2-ylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[2-fluoro-4-[1-[(4-keto-1H-quinazolin-6-yl)methyl]prop-2-ynylamino]benzoyl]amino]glutaric acid Formula: C24H21FN4O6 MolecularWeight: 480.445143

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(CC1=CC2=C(C=C1)NC=NC2=O)NC3=CC(=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)F

Isomeric SMILES

C#CC(CC1=CC2=C(C=C1)NC=NC2=O)NC3=CC(=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)F

InChI

InChI=1S/C24H21FN4O6/c1-2-14(9-13-3-6-19-17(10-13)22(32)27-12-26-19)28-15-4-5-16(18(25)11-15)23(33)29-20(24(34)35)7-8-21(30)31/h1,3-6,10-12,14,20,28H,7-9H2,(H,29,33)(H,30,31)(H,34,35)(H,26,27,32)