4-[[2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoic acid

Systemtic Name: 4-[[2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoic acid Openeye Name: 4-[[2-(2,2-dimethylpropanoylamino)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoic acid CAS Name: 4-[[2-[(2,2-dimethyl-1-oxopropyl)amino]-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]benzoic acid IUPAC Name: 4-[[2-(2,2-dimethylpropanoylamino)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]benzoic acid Traditional Name: 4-[[4-keto-2-(pivaloylamino)-1H-quinazolin-6-yl]methyl-propargyl-amino]benzoic acid Formula: C24H24N4O4 MolecularWeight: 432.47176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)NC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H24N4O4/c1-5-12-28(17-9-7-16(8-10-17)21(30)31)14-15-6-11-19-18(13-15)20(29)26-23(25-19)27-22(32)24(2,3)4/h1,6-11,13H,12,14H2,2-4H3,(H,30,31)(H2,25,26,27,29,32)