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

Systemtic Name: 4-[[2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzamide Openeye Name: 4-[[2-(2,2-dimethylpropanoylamino)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzamide CAS Name: 4-[[2-[(2,2-dimethyl-1-oxopropyl)amino]-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]benzamide IUPAC Name: 4-[[2-(2,2-dimethylpropanoylamino)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]benzamide Traditional Name: 4-[[4-keto-2-(pivaloylamino)-1H-quinazolin-6-yl]methyl-propargyl-amino]benzamide Formula: C24H25N5O3 MolecularWeight: 431.487

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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)N

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)N

InChI

InChI=1S/C24H25N5O3/c1-5-12-29(17-9-7-16(8-10-17)20(25)30)14-15-6-11-19-18(13-15)21(31)27-23(26-19)28-22(32)24(2,3)4/h1,6-11,13H,12,14H2,2-4H3,(H2,25,30)(H2,26,27,28,31,32)