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

Systemtic Name: tert-butyl 4-[[2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate Openeye Name: tert-butyl 4-[[2-(2,2-dimethylpropanoylamino)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate CAS Name: 4-[[2-[(2,2-dimethyl-1-oxopropyl)amino]-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-(2,2-dimethylpropanoylamino)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]benzoate Traditional Name: 4-[[4-keto-2-(pivaloylamino)-1H-quinazolin-6-yl]methyl-propargyl-amino]benzoic acid tert-butyl ester Formula: C28H32N4O4 MolecularWeight: 488.57808

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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)OC(C)(C)C

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)OC(C)(C)C

InChI

InChI=1S/C28H32N4O4/c1-8-15-32(20-12-10-19(11-13-20)24(34)36-28(5,6)7)17-18-9-14-22-21(16-18)23(33)30-26(29-22)31-25(35)27(2,3)4/h1,9-14,16H,15,17H2,2-7H3,(H2,29,30,31,33,35)