2-[[4-[[2-(dimethylamino)-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[[2-(dimethylamino)-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[[2-(dimethylamino)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[2-(dimethylamino)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[2-(dimethylamino)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[[2-(dimethylamino)-4-keto-1H-quinazolin-6-yl]methyl-propargyl-amino]benzoyl]amino]glutaric acid Formula: C26H27N5O6 MolecularWeight: 505.52248

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CN(C)C1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C26H27N5O6/c1-4-13-31(15-16-5-10-20-19(14-16)24(35)29-26(28-20)30(2)3)18-8-6-17(7-9-18)23(34)27-21(25(36)37)11-12-22(32)33/h1,5-10,14,21H,11-13,15H2,2-3H3,(H,27,34)(H,32,33)(H,36,37)(H,28,29,35)