[2-methyl-4-oxidanylidene-6-[[phenylcarbonyl-(prop-2-ynylamino)amino]methyl]quinazolin-3-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [2-methyl-4-oxidanylidene-6-[[phenylcarbonyl-(prop-2-ynylamino)amino]methyl]quinazolin-3-yl]methyl 2,2-dimethylpropanoate Openeye Name: [6-[[benzoyl-(prop-2-ynylamino)amino]methyl]-2-methyl-4-oxo-quinazolin-3-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [6-[[benzoyl-(prop-2-ynylamino)amino]methyl]-2-methyl-4-oxo-3-quinazolinyl]methyl ester IUPAC Name: [6-[[benzoyl-(prop-2-ynylamino)amino]methyl]-2-methyl-4-oxoquinazolin-3-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [6-[[benzoyl-(propargylamino)amino]methyl]-4-keto-2-methyl-quinazolin-3-yl]methyl ester Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)CN(C(=O)C3=CC=CC=C3)NCC#C)C(=O)N1COC(=O)C(C)(C)C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)CN(C(=O)C3=CC=CC=C3)NCC#C)C(=O)N1COC(=O)C(C)(C)C

InChI

InChI=1S/C26H28N4O4/c1-6-14-27-30(23(31)20-10-8-7-9-11-20)16-19-12-13-22-21(15-19)24(32)29(18(2)28-22)17-34-25(33)26(3,4)5/h1,7-13,15,27H,14,16-17H2,2-5H3