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

Systemtic Name: 2-[[4-[1-(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)ethyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[1-(2-methyl-4-oxo-1H-quinazolin-6-yl)ethyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[1-(2-methyl-4-oxo-1H-quinazolin-6-yl)ethyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[1-(2-methyl-4-oxo-1H-quinazolin-6-yl)ethyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[1-(4-keto-2-methyl-1H-quinazolin-6-yl)ethyl-propargyl-amino]benzoyl]amino]glutaric acid Formula: C26H26N4O6 MolecularWeight: 490.50784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)C(C)N(CC#C)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)C(C)N(CC#C)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

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