2-[[4-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]phenyl]carbonylamino]ethanoate

Systemtic Name: 2-[[4-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]phenyl]carbonylamino]ethanoate Openeye Name: 2-[[4-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]benzoyl]amino]acetate CAS Name: 2-[[[4-[[2-[(dimethylammonio)methyl]-4-quinazolinyl]amino]phenyl]-oxomethyl]amino]acetate IUPAC Name: 2-[[4-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]benzoyl]amino]acetate Traditional Name: 2-[[4-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]benzoyl]amino]acetate Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)C(=O)NCC(=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)C(=O)NCC(=O)[O-]

InChI

InChI=1S/C20H21N5O3/c1-25(2)12-17-23-16-6-4-3-5-15(16)19(24-17)22-14-9-7-13(8-10-14)20(28)21-11-18(26)27/h3-10H,11-12H2,1-2H3,(H,21,28)(H,26,27)(H,22,23,24)