2-[(4R)-5-oxidanylidene-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1,4-dihydroimidazol-3-ium-4-yl]ethanoate

Systemtic Name: 2-[(4R)-5-oxidanylidene-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1,4-dihydroimidazol-3-ium-4-yl]ethanoate Openeye Name: 2-[(4R)-5-oxo-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1,4-dihydroimidazol-3-ium-4-yl]acetate CAS Name: 2-[(4R)-5-oxo-2-[(4,6,7-trimethyl-2-quinazolinyl)amino]-1,4-dihydroimidazol-3-ium-4-yl]acetate IUPAC Name: 2-[(4R)-5-oxo-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1,4-dihydroimidazol-3-ium-4-yl]acetate Traditional Name: 2-[(4R)-5-keto-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-2-imidazolin-3-ium-4-yl]acetate Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)NC3=[NH+]C(C(=O)N3)CC(=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)NC3=[NH+][C@@H](C(=O)N3)CC(=O)[O-])C)C

InChI

InChI=1S/C16H17N5O3/c1-7-4-10-9(3)17-15(18-11(10)5-8(7)2)21-16-19-12(6-13(22)23)14(24)20-16/h4-5,12H,6H2,1-3H3,(H,22,23)(H2,17,18,19,20,21,24)/t12-/m1/s1