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

Systemtic Name: 2-[[4-[1-(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)but-3-yn-2-ylamino]-2-chloranyl-phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[1-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl]prop-2-ynylamino]-2-chloro-benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[1-(2-amino-4-oxo-1H-quinazolin-6-yl)but-3-yn-2-ylamino]-2-chlorophenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[1-(2-amino-4-oxo-1H-quinazolin-6-yl)but-3-yn-2-ylamino]-2-chlorobenzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[1-[(2-amino-4-keto-1H-quinazolin-6-yl)methyl]prop-2-ynylamino]-2-chloro-benzoyl]amino]glutaric acid Formula: C24H22ClN5O6 MolecularWeight: 511.91438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClN5O6/c1-2-13(9-12-3-6-18-16(10-12)22(34)30-24(26)29-18)27-14-4-5-15(17(25)11-14)21(33)28-19(23(35)36)7-8-20(31)32/h1,3-6,10-11,13,19,27H,7-9H2,(H,28,33)(H,31,32)(H,35,36)(H3,26,29,30,34)