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

Systemtic Name: 2-[[4-[[2-(2-azanylethylamino)-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[[2-(2-aminoethylamino)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[2-(2-aminoethylamino)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[2-(2-aminoethylamino)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[[2-(2-aminoethylamino)-4-keto-1H-quinazolin-6-yl]methyl-propargyl-amino]benzoyl]amino]glutaric acid Formula: C26H28N6O6 MolecularWeight: 520.53712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N6O6/c1-2-13-32(15-16-3-8-20-19(14-16)24(36)31-26(30-20)28-12-11-27)18-6-4-17(5-7-18)23(35)29-21(25(37)38)9-10-22(33)34/h1,3-8,14,21H,9-13,15,27H2,(H,29,35)(H,33,34)(H,37,38)(H2,28,30,31,36)