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

Systemtic Name: N-[2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-1H-quinazolin-6-yl]-2-[methyl(prop-2-ynyl)amino]benzamide Openeye Name: N-[2-(2,2-dimethylpropanoylamino)-4-oxo-1H-quinazolin-6-yl]-2-[methyl(prop-2-ynyl)amino]benzamide CAS Name: N-[2-[(2,2-dimethyl-1-oxopropyl)amino]-4-oxo-1H-quinazolin-6-yl]-2-[methyl(prop-2-ynyl)amino]benzamide IUPAC Name: N-[2-(2,2-dimethylpropanoylamino)-4-oxo-1H-quinazolin-6-yl]-2-[methyl(prop-2-ynyl)amino]benzamide Traditional Name: N-[4-keto-2-(pivaloylamino)-1H-quinazolin-6-yl]-2-[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)NC(=O)C3=CC=CC=C3N(C)CC#C

Isomeric SMILES

CC(C)(C)C(=O)NC1=NC(=O)C2=C(N1)C=CC(=C2)NC(=O)C3=CC=CC=C3N(C)CC#C

InChI

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