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

Systemtic Name: 2-[[4-[(2-imidazol-1-yl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(2-imidazol-1-yl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[2-(1-imidazolyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2-imidazol-1-yl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(2-imidazol-1-yl-4-keto-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]glutaric acid Formula: C27H24N6O6 MolecularWeight: 528.51606

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)N3C=CN=C3)C4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)N3C=CN=C3)C4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C27H24N6O6/c1-2-12-32(19-6-4-18(5-7-19)24(36)29-22(26(38)39)9-10-23(34)35)15-17-3-8-21-20(14-17)25(37)31-27(30-21)33-13-11-28-16-33/h1,3-8,11,13-14,16,22H,9-10,12,15H2,(H,29,36)(H,34,35)(H,38,39)(H,30,31,37)