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

Systemtic Name: 2-[[4-[[2-(2-dimethylaminoethylamino)-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[[2-(2-dimethylaminoethylamino)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[2-(2-dimethylaminoethylamino)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[2-(2-dimethylaminoethylamino)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[[2-(2-dimethylaminoethylamino)-4-keto-1H-quinazolin-6-yl]methyl-propargyl-amino]benzoyl]amino]glutaric acid Formula: C28H32N6O6 MolecularWeight: 548.59028

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=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)CCNC1=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/C28H32N6O6/c1-4-14-34(20-8-6-19(7-9-20)25(37)30-23(27(39)40)11-12-24(35)36)17-18-5-10-22-21(16-18)26(38)32-28(31-22)29-13-15-33(2)3/h1,5-10,16,23H,11-15,17H2,2-3H3,(H,30,37)(H,35,36)(H,39,40)(H2,29,31,32,38)