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

Systemtic Name: 2-[(4R)-2-[(4-methylquinazolin-2-yl)amino]-5-oxidanylidene-1,4-dihydroimidazol-3-ium-4-yl]ethanoate Openeye Name: 2-[(4R)-2-[(4-methylquinazolin-2-yl)amino]-5-oxo-1,4-dihydroimidazol-3-ium-4-yl]acetate CAS Name: 2-[(4R)-2-[(4-methyl-2-quinazolinyl)amino]-5-oxo-1,4-dihydroimidazol-3-ium-4-yl]acetate IUPAC Name: 2-[(4R)-2-[(4-methylquinazolin-2-yl)amino]-5-oxo-1,4-dihydroimidazol-3-ium-4-yl]acetate Traditional Name: 2-[(4R)-5-keto-2-[(4-methylquinazolin-2-yl)amino]-2-imidazolin-3-ium-4-yl]acetate Formula: C14H13N5O3 MolecularWeight: 299.28472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=CC=CC=C12)NC3=[NH+]C(C(=O)N3)CC(=O)[O-]

Isomeric SMILES

CC1=NC(=NC2=CC=CC=C12)NC3=[NH+][C@@H](C(=O)N3)CC(=O)[O-]

InChI

InChI=1S/C14H13N5O3/c1-7-8-4-2-3-5-9(8)16-13(15-7)19-14-17-10(6-11(20)21)12(22)18-14/h2-5,10H,6H2,1H3,(H,20,21)(H2,15,16,17,18,19,22)/t10-/m1/s1