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

Systemtic Name: 2-[[4-[[2-(methylamino)-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[[2-(methylamino)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[2-(methylamino)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[2-(methylamino)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[[4-keto-2-(methylamino)-1H-quinazolin-6-yl]methyl-propargyl-amino]benzoyl]amino]glutaric acid Formula: C25H25N5O6 MolecularWeight: 491.4959

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=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

CNC1=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/C25H25N5O6/c1-3-12-30(14-15-4-9-19-18(13-15)23(34)29-25(26-2)28-19)17-7-5-16(6-8-17)22(33)27-20(24(35)36)10-11-21(31)32/h1,4-9,13,20H,10-12,14H2,2H3,(H,27,33)(H,31,32)(H,35,36)(H2,26,28,29,34)