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

Systemtic Name: 2-[[4-[1-(4-oxidanylidene-1H-quinazolin-6-yl)but-3-yn-2-ylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[1-[(4-oxo-1H-quinazolin-6-yl)methyl]prop-2-ynylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[oxo-[4-[1-(4-oxo-1H-quinazolin-6-yl)but-3-yn-2-ylamino]phenyl]methyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[1-(4-oxo-1H-quinazolin-6-yl)but-3-yn-2-ylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[1-[(4-keto-1H-quinazolin-6-yl)methyl]prop-2-ynylamino]benzoyl]amino]glutaric acid Formula: C24H22N4O6 MolecularWeight: 462.45468

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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

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

InChI

InChI=1S/C24H22N4O6/c1-2-16(11-14-3-8-19-18(12-14)23(32)26-13-25-19)27-17-6-4-15(5-7-17)22(31)28-20(24(33)34)9-10-21(29)30/h1,3-8,12-13,16,20,27H,9-11H2,(H,28,31)(H,29,30)(H,33,34)(H,25,26,32)