2-[(4R)-2-[(6-ethoxy-4-methyl-quinazolin-2-yl)amino]-5-oxidanylidene-1,4-dihydroimidazol-3-ium-4-yl]ethanoate

Systemtic Name: 2-[(4R)-2-[(6-ethoxy-4-methyl-quinazolin-2-yl)amino]-5-oxidanylidene-1,4-dihydroimidazol-3-ium-4-yl]ethanoate Openeye Name: 2-[(4R)-2-[(6-ethoxy-4-methyl-quinazolin-2-yl)amino]-5-oxo-1,4-dihydroimidazol-3-ium-4-yl]acetate CAS Name: 2-[(4R)-2-[(6-ethoxy-4-methyl-2-quinazolinyl)amino]-5-oxo-1,4-dihydroimidazol-3-ium-4-yl]acetate IUPAC Name: 2-[(4R)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-5-oxo-1,4-dihydroimidazol-3-ium-4-yl]acetate Traditional Name: 2-[(4R)-2-[(6-ethoxy-4-methyl-quinazolin-2-yl)amino]-5-keto-2-imidazolin-3-ium-4-yl]acetate Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)NC3=[NH+]C(C(=O)N3)CC(=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)NC3=[NH+][C@@H](C(=O)N3)CC(=O)[O-]

InChI

InChI=1S/C16H17N5O4/c1-3-25-9-4-5-11-10(6-9)8(2)17-15(18-11)21-16-19-12(7-13(22)23)14(24)20-16/h4-6,12H,3,7H2,1-2H3,(H,22,23)(H2,17,18,19,20,21,24)/t12-/m1/s1