[2,2-dimethylpropanoyl-[4-oxidanylidene-6-[(prop-2-ynylamino)methyl]-1H-quinazolin-2-yl]amino] benzoate

Systemtic Name: [2,2-dimethylpropanoyl-[4-oxidanylidene-6-[(prop-2-ynylamino)methyl]-1H-quinazolin-2-yl]amino] benzoate Openeye Name: [2,2-dimethylpropanoyl-[4-oxo-6-[(prop-2-ynylamino)methyl]-1H-quinazolin-2-yl]amino] benzoate CAS Name: benzoic acid [(2,2-dimethyl-1-oxopropyl)-[4-oxo-6-[(prop-2-ynylamino)methyl]-1H-quinazolin-2-yl]amino] ester IUPAC Name: [2,2-dimethylpropanoyl-[4-oxo-6-[(prop-2-ynylamino)methyl]-1H-quinazolin-2-yl]amino] benzoate Traditional Name: benzoic acid [[4-keto-6-[(propargylamino)methyl]-1H-quinazolin-2-yl]-pivaloyl-amino] ester Formula: C24H24N4O4 MolecularWeight: 432.47176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N(C1=NC(=O)C2=C(N1)C=CC(=C2)CNCC#C)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)N(C1=NC(=O)C2=C(N1)C=CC(=C2)CNCC#C)OC(=O)C3=CC=CC=C3

InChI

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