2-[[4-[(2,3-dimethyl-4-oxidanylidene-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[(2,3-dimethyl-4-oxidanylidene-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(2,3-dimethyl-4-oxo-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2,3-dimethyl-4-oxo-6-quinazolinyl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2,3-dimethyl-4-oxoquinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(4-keto-2,3-dimethyl-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]glutaric acid Formula: C26H26N4O6 MolecularWeight: 490.50784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)N1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)N1C

InChI

InChI=1S/C26H26N4O6/c1-4-13-30(15-17-5-10-21-20(14-17)25(34)29(3)16(2)27-21)19-8-6-18(7-9-19)24(33)28-22(26(35)36)11-12-23(31)32/h1,5-10,14,22H,11-13,15H2,2-3H3,(H,28,33)(H,31,32)(H,35,36)