2-[[4-[(7-chloranyl-2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[(7-chloranyl-2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(7-chloro-2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(7-chloro-2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(7-chloro-2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(7-chloro-4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]glutaric acid Formula: C25H23ClN4O6 MolecularWeight: 510.92632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=CC(=C(C=C2N1)Cl)CN(CC#C)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=O)C2=CC(=C(C=C2N1)Cl)CN(CC#C)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C25H23ClN4O6/c1-3-10-30(13-16-11-18-21(12-19(16)26)27-14(2)28-24(18)34)17-6-4-15(5-7-17)23(33)29-20(25(35)36)8-9-22(31)32/h1,4-7,11-12,20H,8-10,13H2,2H3,(H,29,33)(H,31,32)(H,35,36)(H,27,28,34)