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

Systemtic Name: 2-[(4R)-2-[(4,7-dimethylquinazolin-2-yl)amino]-5-oxidanylidene-1,4-dihydroimidazol-3-ium-4-yl]ethanoate Openeye Name: 2-[(4R)-2-[(4,7-dimethylquinazolin-2-yl)amino]-5-oxo-1,4-dihydroimidazol-3-ium-4-yl]acetate CAS Name: 2-[(4R)-2-[(4,7-dimethyl-2-quinazolinyl)amino]-5-oxo-1,4-dihydroimidazol-3-ium-4-yl]acetate IUPAC Name: 2-[(4R)-2-[(4,7-dimethylquinazolin-2-yl)amino]-5-oxo-1,4-dihydroimidazol-3-ium-4-yl]acetate Traditional Name: 2-[(4R)-2-[(4,7-dimethylquinazolin-2-yl)amino]-5-keto-2-imidazolin-3-ium-4-yl]acetate Formula: C15H15N5O3 MolecularWeight: 313.3113

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)NC3=[NH+]C(C(=O)N3)CC(=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)NC3=[NH+][C@@H](C(=O)N3)CC(=O)[O-])C

InChI

InChI=1S/C15H15N5O3/c1-7-3-4-9-8(2)16-14(17-10(9)5-7)20-15-18-11(6-12(21)22)13(23)19-15/h3-5,11H,6H2,1-2H3,(H,21,22)(H2,16,17,18,19,20,23)/t11-/m1/s1